Geometry & MOs

Info

ID:	266888
PubChem CID:	103579880
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	230.097666
ΔH_f, kcal/mol:	-34.09
Dipole, Da:	6.07
IP(EA), eV:	-8.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(oxolan-2-ylmethylsulfanylmethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=C1)CSCC2CCCO2

DOS

IR

Vibrations