Geometry & MOs

Info

ID:	139698
PubChem CID:	52581435
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	455.080347
ΔH_f, kcal/mol:	3.12
Dipole, Da:	9.66
IP(EA), eV:	-8.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]-3,5-dichlorobenzamide

Drug info:

PubChemData

Smile

COCCOC1=NC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

DOS

IR

Vibrations