Geometry & MOs

Info

ID:	284981
PubChem CID:	104087454
Reduced:	OS2N3C6H11 (1)
Stoich.:	AB2C3D6E11 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	2.84
IP(EA), eV:	-9.08(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxypropan-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CO)SCC1=NN=C(S1)N

DOS

IR

Vibrations