Geometry & MOs

Info

ID:	66521
PubChem CID:	46504731
Reduced:	BrSN2O4C16H21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	543.949
ΔH_f, kcal/mol:	-158.03
Dipole, Da:	6.41
IP(EA), eV:	-8.99(-0.81)
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-bromo-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C)Br

DOS

IR

Vibrations