Geometry & MOs

Info

ID:

311694

PubChem CID:

126596884

Reduced:

ClF2N5O8C36H38 (1)

Stoich.:

AB2C5D8E36F38 (1)

Weight, g/mol:

561.249021

ΔHf, kcal/mol:

-375.34

Dipole, Da:

6.61

IP(EA), eV:

 -9.33(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2-(12,12-dimethyl-4b,11b-dihydrofluoreno[1,2-b][1]benzothiol-8-yl)-3-methylcyclohexa-2,4-dien-1-yl]-3,4-dihydrocarbazole

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)O)NC1=O)N5CCC(=CC5=O)C6=C(C=CC(=C6F)Cl)F

DOS

IR

Vibrations