Geometry & MOs

Info

ID:	29281
PubChem CID:	832783
Reduced:	ClN2O2H15C19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	323.989089
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	5.35
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4-chlorophenyl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations