Geometry & MOs

Info

ID:	228444
PubChem CID:	87564520
Reduced:	SBr2N3O3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	538.87398
ΔH_f, kcal/mol:	-43.8
Dipole, Da:	7.68
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N)Br

DOS

IR

Vibrations