Geometry & MOs

Info

ID:	324876
PubChem CID:	126678526
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	439.173034
ΔH_f, kcal/mol:	-171.42
Dipole, Da:	8.69
IP(EA), eV:	-9.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-fluoro-2-oxopropyl)-1-[2-[[3-(trifluoromethoxy)cyclohexanecarbonyl]amino]acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations