Geometry & MOs

Info

ID:	280172
PubChem CID:	103847328
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	190.066365
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	4.96
IP(EA), eV:	-9.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methyloxolan-3-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1C(CCO1)SCCOC2=CC=CC=C2C#N

DOS

IR

Vibrations