Geometry & MOs

Info

ID:	139550
PubChem CID:	52555096
Reduced:	SCl2N2O4H15C16 (1)
Stoich.:	AB2C2D4E15F16 (1)
Weight, g/mol:	439.012661
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.127167
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-cyanophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide

Drug info:

PubChemData

Smile

CCONC(=O)C1=C(C=CC(=C1)S(=O)(=O)[N-]C2=CC(=C(C=C2)C)Cl)Cl

DOS

IR

Vibrations