Geometry & MOs

Info

ID:	403999
PubChem CID:	135064208
Reduced:	O3C29H53 (2)
Stoich.:	A3B29C53 (2)
Weight, g/mol:	290.99063
ΔH_f, kcal/mol:	-454.71
Dipole, Da:	2.21
IP(EA), eV:	-9.46(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations