Geometry & MOs

Info

ID:

437225

PubChem CID:

135216211

Reduced:

FO3N4C27H31 (1)

Stoich.:

AB3C4D27E31 (1)

Weight, g/mol:

1132.373887

ΔHf, kcal/mol:

-103.77

Dipole, Da:

5.64

IP(EA), eV:

 -8.9(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(10-phenanthren-3-ylanthracen-9-yl)-8-[8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiol-4-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1CC(=O)O)N2CCC(CC2)(C)C)C3=NC=C(C=N3)OCCC4=CC=C(C=C4)F

DOS

IR

Vibrations