Geometry & MOs

Info

ID:	51410
PubChem CID:	12014071
Reduced:	FO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	286.0772
ΔH_f, kcal/mol:	-193.09
Dipole, Da:	3.21
IP(EA), eV:	-8.94(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-fluoropent-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@](CC=C)([C@@H](C1=CC=C(C=C1)OC)O)F

DOS

IR

Vibrations