Geometry & MOs

Info

ID:	381034
PubChem CID:	134971659
Reduced:	FO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	338.132965
ΔH_f, kcal/mol:	-228.99
Dipole, Da:	3.55
IP(EA), eV:	-9.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-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

CC1(O[C@@H]([C@H](O1)[C@@H](C(C=C)(F)F)OC(=O)C=C)C2=CC=CC=C2)C

DOS

IR

Vibrations