Geometry & MOs

Info

ID:	269550
PubChem CID:	103617926
Reduced:	OSN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	12.26
Dipole, Da:	5.68
IP(EA), eV:	-8.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-cyanopyridin-2-yl)sulfanyl-2-phenylacetate

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=NC=CC(=C2)C#N

DOS

IR

Vibrations