Geometry & MOs

Info

ID:	13783
PubChem CID:	398169
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	-27.51
Dipole, Da:	4.86
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3CC3

DOS

IR

Vibrations