Geometry & MOs

Info

ID:	64421
PubChem CID:	29200295
Reduced:	ClSN2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	456.197297
ΔH_f, kcal/mol:	-190.97
Dipole, Da:	2.8
IP(EA), eV:	-8.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[4-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations