Geometry & MOs

Info

ID:	140193
PubChem CID:	52660004
Reduced:	ClFO2N4C22H26 (1)
Stoich.:	ABC2D4E22F26 (1)
Weight, g/mol:	433.180657
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	2.5
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-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=CC(=CC=C3)Cl

DOS

IR

Vibrations