Geometry & MOs

Info

ID:	193154
PubChem CID:	78349919
Reduced:	N3O4C10H17 (1)
Stoich.:	A3B4C10D17 (1)
Weight, g/mol:	382.034822
ΔH_f, kcal/mol:	-175.68
Dipole, Da:	9.79
IP(EA), eV:	-9.91(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-(6-oxo-2-sulfanylidene-4,5-dihydro-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C(CC(=O)O)C1=C(C(NC1N)CN)CC(=O)O

DOS

IR

Vibrations