Geometry & MOs

Info

ID:	314945
PubChem CID:	126623998
Reduced:	FO3N5C30H30 (1)
Stoich.:	AB3C5D30E30 (1)
Weight, g/mol:	161.048821
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	4.62
IP(EA), eV:	-8.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-2-formylpyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)NC3=CN=CC=C3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCCC5=CC=CC=C5)F

DOS

IR

Vibrations