Geometry & MOs

Info

ID:	243217
PubChem CID:	99217081
Reduced:	FN3O6C26H28 (1)
Stoich.:	AB3C6D26E28 (1)
Weight, g/mol:	441.145534
ΔH_f, kcal/mol:	-232.98
Dipole, Da:	2.99
IP(EA), eV:	-9.17(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(5-chloro-2-methoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC(=C1)C(=O)N[C@@H](C2=C(N(N=C2C)C3=CC=C(C=C3)F)C)C(=O)OCC

DOS

IR

Vibrations