Geometry & MOs

Info

ID:	211698
PubChem CID:	81049834
Reduced:	BrNSC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	352.98182
ΔH_f, kcal/mol:	21.65
Dipole, Da:	1.1
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-ethylphenyl)-3-chloro-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CCNCC1=C(C2=C(S1)C=CC(=C2)Br)C

DOS

IR

Vibrations