Geometry & MOs

Info

ID:	434252
PubChem CID:	135174523
Reduced:	P2N10O12C21H24 (1)
Stoich.:	A2B10C12D21E24 (1)
Weight, g/mol:	360.094719
ΔH_f, kcal/mol:	-461.91
Dipole, Da:	9.85
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(aminomethyl)-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@H]2COP(=O)(OC3C4C(O[C@]3(CO4)COP(=O)(OC1C(O2)N5C=NC6=C5NC(=NC6=O)N)O)N7C=NC8=C(N=CN=C87)N)O

DOS

IR

Vibrations