Geometry & MOs

Info

ID:	403600
PubChem CID:	135060933
Reduced:	ClNSO2C25H30 (1)
Stoich.:	ABCD2E25F30 (1)
Weight, g/mol:	439.218115
ΔH_f, kcal/mol:	-62.84
Dipole, Da:	3.74
IP(EA), eV:	-9.45(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[2-butyl-3-(4-methoxyphenyl)-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=C(C=C3)Cl

DOS

IR

Vibrations