Geometry & MOs

Info

ID:	397432
PubChem CID:	135030210
Reduced:	INSO2H18C22 (1)
Stoich.:	ABCD2E18F22 (1)
Weight, g/mol:	497.9899
ΔH_f, kcal/mol:	15.32
Dipole, Da:	6.85
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-1-(4-methylphenyl)sulfonyl-2-phenylindole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C)C(=C2C4=CC=CC=C4)I

DOS

IR

Vibrations