Geometry & MOs

Info

ID:	435478
PubChem CID:	135191582
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	479.205636
ΔH_f, kcal/mol:	-59.24
Dipole, Da:	3.45
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-5-[1-[2-(ethenylamino)pyridin-3-yl]propan-2-ylidene]-2-[2-(2-hydroxyethoxy)-4-methylanilino]-4-oxofuran-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(=O)C1=C(O/C(=C\C2=CNC3=C2C=CC=N3)/C1=O)N4CCOC5=CC=CC=C5C4

DOS

IR

Vibrations