Geometry & MOs

Info

ID:	16692
PubChem CID:	474930
Reduced:	SO4N6C11H14 (1)
Stoich.:	AB4C6D11E14 (1)
Weight, g/mol:	326.079724
ΔH_f, kcal/mol:	-79.16
Dipole, Da:	11.15
IP(EA), eV:	-9.23(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl sulfamate

Drug info:

PubChemData

Smile

C1[C@@H](C=C[C@@H]1N2C=NC3=C2NC(=NC3=O)N)COS(=O)(=O)N

DOS

IR

Vibrations