Geometry & MOs

Info

ID:	85394
PubChem CID:	49874730
Reduced:	FO4H6C9 (2)
Stoich.:	AB4C6D9 (2)
Weight, g/mol:	494.043636
ΔH_f, kcal/mol:	-367.15
Dipole, Da:	8.7
IP(EA), eV:	-10.87(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-bis[[3-(trifluoromethyl)benzoyl]oxy]butanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)F)C(=O)O)F

DOS

IR

Vibrations