Geometry & MOs

Info

ID:	66523
PubChem CID:	46504733
Reduced:	BrClSN2O4C20H20 (1)
Stoich.:	ABCD2E4F20G20 (1)
Weight, g/mol:	444.07184
ΔH_f, kcal/mol:	-132.68
Dipole, Da:	12.07
IP(EA), eV:	-8.73(-0.98)
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-methylbutyl)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)Cl

DOS

IR

Vibrations