Geometry & MOs

Info

ID:	228212
PubChem CID:	87563674
Reduced:	SCl3N3O3H12C15 (1)
Stoich.:	AB3C3D3E12F15 (1)
Weight, g/mol:	374.976666
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	1.67
IP(EA), eV:	-9.81(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N)N(C(=O)NC(=O)C2=CC(=C(C=C2)Cl)Cl)S.Cl

DOS

IR

Vibrations