Geometry & MOs

Info

ID:	196711
PubChem CID:	78867497
Reduced:	ClNO2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	401.036768
ΔH_f, kcal/mol:	-138.15
Dipole, Da:	1.96
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations