Geometry & MOs

Info

ID:	397434
PubChem CID:	135030214
Reduced:	ISN2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	436.99465
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	9.31
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-iodo-1-(4-methylphenyl)sulfonylindole

Drug info:

PubChemData

Smile

CCCCC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)[N+](=O)[O-])I

DOS

IR

Vibrations