Geometry & MOs

Info

ID:	198943
PubChem CID:	79176372
Reduced:	OSN2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-28.14
Dipole, Da:	4.92
IP(EA), eV:	-8.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-amino-4-methylpyridin-2-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1N)SCCO

DOS

IR

Vibrations