Geometry & MOs

Info

ID:	403718
PubChem CID:	135061500
Reduced:	ClNO5C22H30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	426.070799
ΔH_f, kcal/mol:	-256.92
Dipole, Da:	0.92
IP(EA), eV:	-9.65(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3,3-bis(benzenesulfonyl)-4-ethenylcyclopentane-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1(CCCC1=O)[C@@H](C2=CC(=CC=C2)Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations