Geometry & MOs

Info

ID:	135345
PubChem CID:	51855771
Reduced:	ClSN3O3C20H21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	335.088848
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100130
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CS2)C3=CC=CO3

DOS

IR

Vibrations