Geometry & MOs

Info

ID:	66527
PubChem CID:	46504737
Reduced:	BrSN3O4C24H28 (1)
Stoich.:	ABC3D4E24F28 (1)
Weight, g/mol:	492.03546
ΔH_f, kcal/mol:	-115.35
Dipole, Da:	11.58
IP(EA), eV:	-8.93(-0.92)
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-acetylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)Br

DOS

IR

Vibrations