Geometry & MOs

Info

ID:	314650
PubChem CID:	126622550
Reduced:	NF2O2H5C6 (2)
Stoich.:	AB2C2D5E6 (2)
Weight, g/mol:	384.149678
ΔH_f, kcal/mol:	-334.04
Dipole, Da:	4.84
IP(EA), eV:	-9.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-4-fluoro-2-[(2-fluoro-3-methoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C1C(=O)NC2=C(C(=CC=C2)OC(F)(F)F)F)C(=O)O

DOS

IR

Vibrations