Geometry & MOs

Info

ID:	54675
PubChem CID:	17389082
Reduced:	SN3O4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	357.078327
ΔH_f, kcal/mol:	-115.72
Dipole, Da:	9.11
IP(EA), eV:	-8.87(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations