Geometry & MOs

Info

ID:	228210
PubChem CID:	87563671
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	402.971581
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	3.78
IP(EA), eV:	-9.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide;hydrochloride

Drug info:

PubChemData

Smile

CCC1C(O1)C2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)OC

DOS

IR

Vibrations