Geometry & MOs

Info

ID:	380697
PubChem CID:	134971224
Reduced:	ClO2F3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	310.101665
ΔH_f, kcal/mol:	-210.6
Dipole, Da:	6.51
IP(EA), eV:	-9.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3,3-difluoro-2H-pyran-6-one

Drug info:

PubChemData

Smile

C1C(C(=O)O[C@]1(C2=CC=CC=C2)C(F)(F)F)CC3=CC=CC=C3Cl

DOS

IR

Vibrations