Geometry & MOs

Info

ID:	62558
PubChem CID:	26719868
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	398.110042
ΔH_f, kcal/mol:	-89.82
Dipole, Da:	1.84
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-fluorophenyl)sulfonyl-N-naphthalen-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NC2=CC3=CC=CC=C3C=C2)C)C(=O)OC

DOS

IR

Vibrations