Geometry & MOs

Info

ID:	314918
PubChem CID:	126623966
Reduced:	F2O3N5C30H31 (1)
Stoich.:	A2B3C5D30E31 (1)
Weight, g/mol:	438.126086
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	6.81
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-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)N5C[C@@H](C[C@H]5CNC6=C(C(=CC=C6)OC)F)F

DOS

IR

Vibrations