Geometry & MOs

Info

ID:	391330
PubChem CID:	135004354
Reduced:	NOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	387.1293
ΔH_f, kcal/mol:	28.82
Dipole, Da:	2.95
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1-(4-methylphenyl)sulfonyl-3-(2-phenylprop-2-enylidene)-2H-indole

Drug info:

PubChemData

Smile

C1CC2=NC3=CC=CC=C3C2(C(=O)C1)CC4=CC=CC=C4

DOS

IR

Vibrations