Geometry & MOs

Info

ID:	62672
PubChem CID:	26732702
Reduced:	NF2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	295.065614
ΔH_f, kcal/mol:	-195.78
Dipole, Da:	5.06
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=CC=CO2

DOS

IR

Vibrations