Geometry & MOs

Info

ID:	314862
PubChem CID:	126623815
Reduced:	ON2H15C16 (2)
Stoich.:	AB2C15D16 (2)
Weight, g/mol:	338.073656
ΔH_f, kcal/mol:	84.42
Dipole, Da:	10.74
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=NC=C3)CC4(COC4)N(CC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations