Geometry & MOs

Info

ID:	337893
PubChem CID:	127258516
Reduced:	PO5F6C10H15 (1)
Stoich.:	AB5C6D10E15 (1)
Weight, g/mol:	220.059172
ΔH_f, kcal/mol:	-612.78
Dipole, Da:	3.9
IP(EA), eV:	-10.97(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(methylsulfanyl)prop-2-enyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCP(=O)(OCC(F)(F)F)OCC(F)(F)F

DOS

IR

Vibrations