Geometry & MOs

Info

ID:	83451
PubChem CID:	49857607
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	686.178812
ΔH_f, kcal/mol:	26.21
Dipole, Da:	5.07
IP(EA), eV:	-9.41(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3'-[(E)-4-[(3,6a,9,10-tetrahydroxy-7,11b-dihydro-6H-indeno[2,1-c]chromen-4-yl)oxy]but-2-enoxy]-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)NC(=O)C2=C3C(=NC=C2)N=C(N3)C4CC4

DOS

IR

Vibrations