Geometry & MOs

Info

ID:	226135
PubChem CID:	87325875
Reduced:	NO2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	347.039834
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	3.97
IP(EA), eV:	-9.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dicarbamothioylphenyl) 5-amino-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CCCCCC/C=N/O.C=O

DOS

IR

Vibrations