Geometry & MOs

Info

ID:	66514
PubChem CID:	46504714
Reduced:	BrSN2O4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	512.01722
ΔH_f, kcal/mol:	-135.5
Dipole, Da:	12.35
IP(EA), eV:	-8.68(-0.94)
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-(4-chlorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=CC=CC4=C3CCCC4)Br

DOS

IR

Vibrations