Geometry & MOs

Info

ID:	314658
PubChem CID:	126622588
Reduced:	NO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	513.082239
ΔH_f, kcal/mol:	-149.29
Dipole, Da:	6.92
IP(EA), eV:	-9.59(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-(4-chloro-3-cyanophenyl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N)CC(=O)O

DOS

IR

Vibrations