Geometry & MOs

Info

ID:	413014
PubChem CID:	135085958
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	430.135114
ΔH_f, kcal/mol:	-136.74
Dipole, Da:	2.62
IP(EA), eV:	-9.7(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)sulfonyl-1-(2-phenylprop-2-enyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CC/C=C\CCC(C)(C)O)O

DOS

IR

Vibrations