Geometry & MOs

Info

ID:	435294
PubChem CID:	135188010
Reduced:	SN3O3H13C19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	363.067762
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	2.93
IP(EA), eV:	-9.81(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyano-6-oxo-4-pyridin-4-yl-1H-pyridin-2-yl)sulfanylmethyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)NC(=C2C#N)SCC3=CC(=CN=C3)C(=O)O

DOS

IR

Vibrations