Geometry & MOs

Info

ID:	381033
PubChem CID:	134971658
Reduced:	O3C11H19 (2)
Stoich.:	A3B11C19 (2)
Weight, g/mol:	338.132965
ΔH_f, kcal/mol:	-314.4
Dipole, Da:	3.65
IP(EA), eV:	-9.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2,2-difluorobut-3-enyl] prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCC1(OCCO1)CCC[C@@H]2/C(=C/C(=O)OCC)/COC(O2)(C)C

DOS

IR

Vibrations