Geometry & MOs

Info

ID:	140231
PubChem CID:	52666823
Reduced:	FSN3O3H8C14 (1)
Stoich.:	ABC3D3E8F14 (1)
Weight, g/mol:	419.116732
ΔH_f, kcal/mol:	-10.88
Dipole, Da:	4.84
IP(EA), eV:	-9.37(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations