Geometry & MOs

Info

ID:	29538
PubChem CID:	834942
Reduced:	BrClNOH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	323.989089
ΔH_f, kcal/mol:	24.02
Dipole, Da:	6.27
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2-chlorophenyl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C=NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations