Geometry & MOs

Info

ID:	334198
PubChem CID:	127252750
Reduced:	NO2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	519.152931
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	3.26
IP(EA), eV:	-8.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[1-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-methoxy-3-oxopropyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H](CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O)OC

DOS

IR

Vibrations