Geometry & MOs

Info

ID:	381035
PubChem CID:	134971660
Reduced:	FO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	400.209718
ΔH_f, kcal/mol:	-228.06
Dipole, Da:	3.01
IP(EA), eV:	-9.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-[(2S)-2-hydroxy-1,4-dimethoxy-1,4-dioxobutan-2-yl]-7-oxotetradec-3-enoic acid

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@H](O1)[C@H](C(C=C)(F)F)OC(=O)C=C)C2=CC=CC=C2)C

DOS

IR

Vibrations