Geometry & MOs

Info

ID:	434290
PubChem CID:	135174603
Reduced:	F2P2S2N9O9C21H25 (1)
Stoich.:	A2B2C2D9E9F21G25 (1)
Weight, g/mol:	631.130527
ΔH_f, kcal/mol:	-496.68
Dipole, Da:	9.79
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[(5E)-5-(aminomethylidene)-6-oxopyrimidin-4-yl]amino]oxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

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=C2NC(=NC3=O)N)COP(=S)(O)OC4CC(OC4COP(=O)(O)S)N5C=C(C6=C(N=CN=C65)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=C2NC(=NC3=O)N)COP(=S)(O)OC4CC(OC4COP(=O)(O)S)N5C=C(C6=C(N=CN=C65)N)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):