Geometry & MOs

Info

ID:	395021
PubChem CID:	135024457
Reduced:	ClINSO2H13C15 (1)
Stoich.:	ABCDE2F13G15 (1)
Weight, g/mol:	408.90786
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	6.64
IP(EA), eV:	-9.03(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-5-chloro-2-(trichloromethyl)-1H-indole

Drug info:

PubChemData

Smile

CC(=NC1=C(C=C(C=C1)Cl)I)CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations