Geometry & MOs

Info

ID:	334500
PubChem CID:	127253175
Reduced:	ClN2O5C28H31 (1)
Stoich.:	AB2C5D28E31 (1)
Weight, g/mol:	546.167853
ΔH_f, kcal/mol:	-149.63
Dipole, Da:	3.69
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations