Geometry & MOs

Info

ID:	287797
PubChem CID:	104294655
Reduced:	NF2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	287.060529
ΔH_f, kcal/mol:	-249.56
Dipole, Da:	1.68
IP(EA), eV:	-9.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]butanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)N2CCOCC2CC(=O)O

DOS

IR

Vibrations