Geometry & MOs

Info

ID:	403602
PubChem CID:	135060935
Reduced:	NSO2C25H37 (1)
Stoich.:	ABC2D25E37 (1)
Weight, g/mol:	443.1919
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	4.28
IP(EA), eV:	-9.32(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-(2-benzyl-4,4,5-trimethyl-3-phenylcyclopent-2-en-1-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC\1=C(C(C(/C1=N\S(=O)(=O)C2=CC=C(C=C2)C)C)(C)C)C3CCCCC3

DOS

IR

Vibrations