Geometry & MOs

Info

ID:	211856
PubChem CID:	81054509
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	2.82
IP(EA), eV:	-8.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyano-2,6-dimethylpyridin-4-yl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)OC2CCOC2

DOS

IR

Vibrations