Geometry & MOs

Info

ID:	140191
PubChem CID:	52660002
Reduced:	ClF2O2N4C22H25 (1)
Stoich.:	AB2C2D4E22F25 (1)
Weight, g/mol:	433.180657
ΔH_f, kcal/mol:	-144.86
Dipole, Da:	3.05
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC(=O)CNC(=O)NCC2=CC=C(C=C2)F)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations