Geometry & MOs

Info

ID:	51409
PubChem CID:	12014070
Reduced:	FO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.126737
ΔH_f, kcal/mol:	-161.46
Dipole, Da:	4.7
IP(EA), eV:	-9.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]pent-4-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations