Geometry & MOs

Info

ID:	66543
PubChem CID:	46504763
Reduced:	BrSN2O4C19H25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	464.04054
ΔH_f, kcal/mol:	-161.66
Dipole, Da:	5.68
IP(EA), eV:	-8.97(-0.78)
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-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CCS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

DOS

IR

Vibrations