Geometry & MOs

Info

ID:	51407
PubChem CID:	12014068
Reduced:	OH24C28 (1)
Stoich.:	AB24C28 (1)
Weight, g/mol:	252.116173
ΔH_f, kcal/mol:	77.84
Dipole, Da:	2.0
IP(EA), eV:	-9.29(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(O1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations