Geometry & MOs

Info

ID:	226577
PubChem CID:	87544228
Reduced:	NS2F3O5H22C24 (1)
Stoich.:	AB2C3D5E22F24 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-292.06
Dipole, Da:	8.83
IP(EA), eV:	-8.46(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,3R)-3-hydroxy-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile;methanesulfonic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)S(C)(CC(=O)O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations