Geometry & MOs

Info

ID:	434435
PubChem CID:	135174921
Reduced:	P2N9O12C21H27 (1)
Stoich.:	A2B9C12D21E27 (1)
Weight, g/mol:	685.127173
ΔH_f, kcal/mol:	-510.98
Dipole, Da:	8.22
IP(EA), eV:	-9.22(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5S)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-azido-5-(phosphonooxymethyl)oxolan-3-yl] [(2S)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl 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

C1CC(OC1COP(=O)(O)O[C@H]2[C@H](C(OC2COP(=O)(O)O)C3=CC=C4N3N=CN=C4N)O)N5C=NC6=C5NC(=NC6=O)N

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

C1CC(OC1COP(=O)(O)O[C@H]2[C@H](C(OC2COP(=O)(O)O)C3=CC=C4N3N=CN=C4N)O)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):