Geometry & MOs

Info

ID:

311639

PubChem CID:

126596233

Reduced:

SN3H27C41 (1)

Stoich.:

AB3C27D41 (1)

Weight, g/mol:

609.223869

ΔHf, kcal/mol:

207.01

Dipole, Da:

6.14

IP(EA), eV:

 -8.49(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-cyano-2-(7,7-dimethyl-10,11-dihydrofluoreno[4,3-b][1]benzothiol-3-yl)phenyl]-9a-methyl-4aH-carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)C5=C(S4)C=CC(=C5)C6CC=C(C=C6N7C8=C(C=C(C=C8)C#N)C9=CC=CC=C97)C#N)C

DOS

IR

Vibrations