Geometry & MOs

Info

ID:	54674
PubChem CID:	17389081
Reduced:	SN5H9C10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	371.093977
ΔH_f, kcal/mol:	119.65
Dipole, Da:	6.96
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)N2C=NN(C2=S)CCC#N

DOS

IR

Vibrations