Geometry & MOs

Info

ID:	66517
PubChem CID:	46504719
Reduced:	BrSN2O4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	478.05619
ΔH_f, kcal/mol:	-121.77
Dipole, Da:	6.86
IP(EA), eV:	-8.84(-0.83)
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-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations