Geometry & MOs

Info

ID:	228415
PubChem CID:	87564306
Reduced:	SCl3N3O4H16C17 (1)
Stoich.:	AB3C3D4E16F17 (1)
Weight, g/mol:	427.016032
ΔH_f, kcal/mol:	-157.12
Dipole, Da:	8.25
IP(EA), eV:	-9.64(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)-sulfanylcarbamoyl]-3,5-dichloro-4-ethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)NC(=O)N(C2=CC=C(C=C2)C(=O)N)S)Cl.Cl

DOS

IR

Vibrations