Geometry & MOs

Info

ID:	184525
PubChem CID:	77172921
Reduced:	OSCl2F3N4H15C20 (1)
Stoich.:	ABC2D3E4F15G20 (1)
Weight, g/mol:	497.182982
ΔH_f, kcal/mol:	-110.63
Dipole, Da:	5.22
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-chloropyridin-2-yl)methoxy]-2-oxopyridin-1-yl]-6-(3-piperidin-4-yloxypyrrolidin-1-yl)-3H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C=CN3C(C2=O)NN=C3SCC4=CC(=CC(=C4)Cl)C(F)(F)F

DOS

IR

Vibrations