Geometry & MOs

Info

ID:	390828
PubChem CID:	135001148
Reduced:	O2F3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	330.20024
ΔH_f, kcal/mol:	-234.56
Dipole, Da:	7.72
IP(EA), eV:	-10.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (5S)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoate

Drug info:

PubChemData

Smile

C1C[C@@H](CC(=O)OC1)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations