Geometry & MOs

Info

ID:	245121
PubChem CID:	99437606
Reduced:	FN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	359.128134
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	1.51
IP(EA), eV:	-8.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3,4-dimethoxyphenyl)-N-(5-fluoropyridin-2-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3=NC=C(C=C3)F)OC

DOS

IR

Vibrations