Geometry & MOs

Info

ID:	327022
PubChem CID:	126688877
Reduced:	AuCPSN2H5 (1)
Stoich.:	ABCDE2F5 (1)
Weight, g/mol:	473.061689
ΔH_f, kcal/mol:	103.4
Dipole, Da:	3.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.887980
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4R,5S)-4,5-dihydroxy-3-[6-[3-(trifluoromethyl)phenyl]purin-9-yl]-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

C(=S)(N)NP.[Au]

DOS

IR

Vibrations