Geometry & MOs

Info

ID:

427488

PubChem CID:

135159330

Reduced:

O4H36C49 (1)

Stoich.:

A4B36C49 (1)

Weight, g/mol:

678.251858

ΔHf, kcal/mol:

110.08

Dipole, Da:

2.2

IP(EA), eV:

 -8.17(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-(2,3-dihydro-1H-[1]benzofuro[3,2-b]pyrrol-8-yl)spiro[4a,9a-dihydroxanthene-9,9'-xanthene]-3'-yl]-1,2,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)OC3=C2C(CC=C3)C4=CC5=C(C=C4)C6(C7=C(CC(C=C7)C8=C9C1=C(C=CCC1)OC9=CC=C8)OC1=CC=CC=C16)C1=CC=CC=C1O5

DOS

IR

Vibrations