Geometry & MOs

Info

ID:

427493

PubChem CID:

135159342

Reduced:

NS2H39C49 (1)

Stoich.:

AB2C39D49 (1)

Weight, g/mol:

588.241293

ΔHf, kcal/mol:

285.08

Dipole, Da:

1.45

IP(EA), eV:

 -8.18(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-(1,2,3,6-tetrahydropyridin-2-yl)spiro[4a,8a,9a,10a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]-3H-[1]benzofuro[2,3-b]pyrrole

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C3(C4C=CC=CC4SC5C3C(=CC=C5)C6=CC=CC=C6)C7C=CC(=CC7S2)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations