Geometry & MOs

Info

ID:	413185
PubChem CID:	135086131
Reduced:	NSO2C20H27 (1)
Stoich.:	ABC2D20E27 (1)
Weight, g/mol:	393.17625
ΔH_f, kcal/mol:	-20.86
Dipole, Da:	4.96
IP(EA), eV:	-9.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,5-di(cyclohexen-1-yl)penta-1,4-diyn-3-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC#CC(C#CCCCC)NS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations