Geometry & MOs

Info

ID:	373233
PubChem CID:	131311999
Reduced:	BrClOSC8H8 (1)
Stoich.:	ABCDE8F8 (1)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-17.01
Dipole, Da:	3.5
IP(EA), eV:	-8.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-3-ethyl-2-hydroxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)SC)Cl

DOS

IR

Vibrations