Geometry & MOs

Info

ID:	220839
PubChem CID:	85240160
Reduced:	NSO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	277.077265
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	6.45
IP(EA), eV:	-8.18(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-pyridin-2-yl 4-methyl-5-oxo-4-prop-2-enyloxolane-2-carbothioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)C2=C(N=C(C=C2)OC)OC

DOS

IR

Vibrations