Geometry & MOs

Info

ID:	334278
PubChem CID:	127252830
Reduced:	N2O4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	460.115818
ΔH_f, kcal/mol:	-46.2
Dipole, Da:	2.63
IP(EA), eV:	-8.3(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CC=NC=C5)OC

DOS

IR

Vibrations