Geometry & MOs

Info

ID:	57976
PubChem CID:	24398095
Reduced:	BrSCl2N2O3H13C15 (1)
Stoich.:	ABC2D2E3F13G15 (1)
Weight, g/mol:	446.035561
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	5.42
IP(EA), eV:	-8.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(2,4-dichloroanilino)-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)Cl)Br

DOS

IR

Vibrations