Geometry & MOs

Info

ID:	54676
PubChem CID:	17389083
Reduced:	SN3O4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	343.062677
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	8.08
IP(EA), eV:	-8.83(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C

DOS

IR

Vibrations