Geometry & MOs

Info

ID:	228442
PubChem CID:	87564504
Reduced:	ClN3O5H10C17 (1)
Stoich.:	AB3C5D10E17 (1)
Weight, g/mol:	522.87907
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	5.79
IP(EA), eV:	-8.99(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-N-[(4-carbamoylphenyl)carbamothioyl]-4-methoxybenzamide;hydrochloride

Drug info:

PubChemData

Smile

C#CC1=C2C(=C(NO2)C3=CC=C(C=C3)Cl)C(=O)C(=N1)C(=O)C(C(=O)O)N

DOS

IR

Vibrations