Geometry & MOs

Info

ID:	66522
PubChem CID:	46504732
Reduced:	SBr2N2O4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	498.00157
ΔH_f, kcal/mol:	-128.69
Dipole, Da:	8.27
IP(EA), eV:	-8.83(-0.87)
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-(2-chloro-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations