Geometry & MOs

Info

ID:	18311
PubChem CID:	539594
Reduced:	SO4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	266.06128
ΔH_f, kcal/mol:	-153.07
Dipole, Da:	3.69
IP(EA), eV:	-9.08(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methyl-5-oxooxolan-3-yl)sulfanylbenzoate

Drug info:

PubChemData

Smile

CC1C(CC(=O)O1)SC2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations