Geometry & MOs

Info

ID:	434482
PubChem CID:	135175029
Reduced:	FPSN5O5C11H14 (2)
Stoich.:	ABCD5E5F11G14 (2)
Weight, g/mol:	718.051823
ΔH_f, kcal/mol:	-556.69
Dipole, Da:	15.12
IP(EA), eV:	-9.05(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(1S,6R,8R,10R,15R,18R)-8-[(5,6-diaminopyrimidin-4-yl)amino]-9,9,18-trifluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-1-yl]-3H-purin-6-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H]([C@@](OC1N2C=NC3=C(N=CN=C32)N)(CO)COP(=S)(O)O)COP(=S)(O)OCC4C(CC(O4)N5C=NC6=C5NC(=NC6=O)N)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H]([C@@](OC1N2C=NC3=C(N=CN=C32)N)(CO)COP(=S)(O)O)COP(=S)(O)OCC4C(CC(O4)N5C=NC6=C5NC(=NC6=O)N)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):