Geometry & MOs

Info

ID:	228414
PubChem CID:	87564305
Reduced:	CoN4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	462.99271
ΔH_f, kcal/mol:	129.54
Dipole, Da:	42.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.177433
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC\2=NC1C3CCC(=N3)/C=C\4/CCC(=N4)/C=C\5/CC/C(=C2)/N5.[Co]

DOS

IR

Vibrations