Geometry & MOs

Info

ID:	140190
PubChem CID:	52660001
Reduced:	ClF2O2N4C22H26 (1)
Stoich.:	AB2C2D4E22F26 (1)
Weight, g/mol:	450.16341
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	5.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865867
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@@H](CNC(=O)CNC(=O)NCC2=CC=C(C=C2)F)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations