Geometry & MOs

Info

ID:	334016
PubChem CID:	127252568
Reduced:	N2O4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	477.142367
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	5.67
IP(EA), eV:	-8.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-(4-oxochromen-3-yl)propanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations