Geometry & MOs

Info

ID:	66538
PubChem CID:	46504758
Reduced:	BrSN2O4C21H31 (1)
Stoich.:	ABC2D4E21F31 (1)
Weight, g/mol:	501.9765
ΔH_f, kcal/mol:	-182.35
Dipole, Da:	6.44
IP(EA), eV:	-8.98(-0.79)
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-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C)Br

DOS

IR

Vibrations