Geometry & MOs

Info

ID:	43804
PubChem CID:	10321812
Reduced:	Cl2O2N5H19C22 (1)
Stoich.:	A2B2C5D19E22 (1)
Weight, g/mol:	456.124526
ΔH_f, kcal/mol:	40.69
Dipole, Da:	4.0
IP(EA), eV:	-8.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxypyridin-4-yl)methyl]-8-methyl-5,7-dioxo-[1,3,4]oxadiazolo[3,2-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)OC)OC)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations