Geometry & MOs

Info

ID:	314613
PubChem CID:	126622449
Reduced:	FSN5O6C24H28 (1)
Stoich.:	ABC5D6E24F28 (1)
Weight, g/mol:	220.085935
ΔH_f, kcal/mol:	-235.73
Dipole, Da:	4.44
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C[C@@H]([C@@H]2C[C@H](CN2C(=O)CN3C=C(C4=C3C=CC(=C4)OCS(=O)(=O)N)C(=O)N)F)O

DOS

IR

Vibrations