Geometry & MOs

Info

ID:	403598
PubChem CID:	135060930
Reduced:	SO4C30H30 (1)
Stoich.:	AB4C30D30 (1)
Weight, g/mol:	409.20755
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	3.66
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1[C@](O[C@H](O1)CC)(C2=CC(=C(CC2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CSC=C5

DOS

IR

Vibrations