Geometry & MOs

Info

ID:	66544
PubChem CID:	46504764
Reduced:	BrSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	483.98592
ΔH_f, kcal/mol:	-128.76
Dipole, Da:	7.79
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(3-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

DOS

IR

Vibrations