Geometry & MOs

Info

ID:	396646
PubChem CID:	135028981
Reduced:	SO2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-52.44
Dipole, Da:	1.95
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxypyridin-3-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CCC(=C2[C@@H](C3=C(C2=O)SC=C3)O)CC1

DOS

IR

Vibrations