Geometry & MOs

Info

ID:	445703
PubChem CID:	135268991
Reduced:	Cl2O3N4C11H14 (1)
Stoich.:	A2B3C4D11E14 (1)
Weight, g/mol:	518.222843
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	2.71
IP(EA), eV:	-9.41(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[3-(1,1-difluoroethoxy)phenoxy]prop-1-enyl]-1-(3-hydroxypropyl)-5-[2-(6-methoxy-1,2-dihydropyridin-4-yl)ethyl]-3H-pyridine-2,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)Cl)Cl

DOS

IR

Vibrations