Geometry & MOs

Info

ID:

298232

PubChem CID:

117648095

Reduced:

N3H41C62 (1)

Stoich.:

A3B41C62 (1)

Weight, g/mol:

674.206822

ΔHf, kcal/mol:

291.46

Dipole, Da:

1.21

IP(EA), eV:

 -7.63(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9'-(10-phenylanthracen-9-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3N(C5=C4C=C(C=C5)N(C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8)C1=CC=C(C2=CC=CC=C21)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations