Geometry & MOs

Info

ID:	85393
PubChem CID:	49874717
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	394.050024
ΔH_f, kcal/mol:	-81.63
Dipole, Da:	4.06
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-bis[(4-fluorobenzoyl)oxy]butanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(O2)C(=O)C)N)OC

DOS

IR

Vibrations