Geometry & MOs

Info

ID:	403604
PubChem CID:	135060938
Reduced:	NSO3C32H37 (1)
Stoich.:	ABC3D32E37 (1)
Weight, g/mol:	395.1919
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	4.47
IP(EA), eV:	-9.25(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-(2-butyl-4,4-dimethyl-3-phenylcyclopent-2-en-1-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1/C(=N\S(=O)(=O)C2=CC=C(C=C2)C)/C(=C(C1(C)C)C3=CC=CC=C3)CCCCOCC4=CC=CC=C4

DOS

IR

Vibrations