Geometry & MOs

Info

ID:	403599
PubChem CID:	135060932
Reduced:	NSO2C25H31 (1)
Stoich.:	ABC2D25E31 (1)
Weight, g/mol:	443.168578
ΔH_f, kcal/mol:	-52.56
Dipole, Da:	4.19
IP(EA), eV:	-9.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[2-butyl-3-(4-chlorophenyl)-4,4,5-trimethylcyclopent-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)C3=CC=CC=C3

DOS

IR

Vibrations