Geometry & MOs

Info

ID:	337894
PubChem CID:	127258517
Reduced:	O2S2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	159.069557
ΔH_f, kcal/mol:	-89.24
Dipole, Da:	1.02
IP(EA), eV:	-8.59(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyano-2-fluoroethyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC=C(SC)SC

DOS

IR

Vibrations