Geometry & MOs

Info

ID:	133715
PubChem CID:	51579284
Reduced:	ClSN2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	425.077848
ΔH_f, kcal/mol:	-130.67
Dipole, Da:	0.94
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N[C@@H]2CCS(=O)(=O)C2)Cl

DOS

IR

Vibrations