Geometry & MOs

Info

ID:	228095
PubChem CID:	87563429
Reduced:	N2O2I3H5C8 (1)
Stoich.:	A2B2C3D5E8 (1)
Weight, g/mol:	363.080826
ΔH_f, kcal/mol:	9.59
Dipole, Da:	6.68
IP(EA), eV:	-9.11(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)N)I

DOS

IR

Vibrations