Geometry & MOs

Info

ID:	391608
PubChem CID:	135007168
Reduced:	NOSH7C8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	532.174202
ΔH_f, kcal/mol:	30.89
Dipole, Da:	6.71
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-7-[(1R,5R,6R)-3,3-bis(benzenesulfonyl)-6-phenyl-1-bicyclo[3.1.0]hexanyl]bicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

COC1=CC=C(S1)/C=C/C#N

DOS

IR

Vibrations