Geometry & MOs

Info

ID:	185643
PubChem CID:	77324512
Reduced:	F3N3O6H22C25 (1)
Stoich.:	A3B3C6D22E25 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-281.39
Dipole, Da:	4.17
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-3-methylpentanoyl)-N-benzyl-1-(2-oxo-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)OC(CF)(F)F)COC3=CC=CC(=C3)C(=CCN4C(=O)NC(=O)O4)C

DOS

IR

Vibrations