Geometry & MOs

Info

ID:	228443
PubChem CID:	87564519
Reduced:	ClSBr2N3O3H14C16 (1)
Stoich.:	ABC2D3E3F14G16 (1)
Weight, g/mol:	486.90239
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	5.07
IP(EA), eV:	-8.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations