Geometry & MOs

Info

ID:	326709
PubChem CID:	126688066
Reduced:	INSH14C24 (1)
Stoich.:	ABCD14E24 (1)
Weight, g/mol:	389.07939
ΔH_f, kcal/mol:	126.09
Dipole, Da:	4.16
IP(EA), eV:	-8.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,5S)-5-hydroxy-3-(6-phenylpurin-9-yl)-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)I)C4=C2C=CC5=C4SC6=CC=CC=C56

DOS

IR

Vibrations