Geometry & MOs

Info

ID:	120694
PubChem CID:	50740420
Reduced:	BrSN3O5H20C22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	491.991
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	6.39
IP(EA), eV:	-9.63(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations