Geometry & MOs

Info

ID:

311709

PubChem CID:

126596901

Reduced:

ClO4N5H28C29 (1)

Stoich.:

AB4C5D28E29 (1)

Weight, g/mol:

607.208219

ΔHf, kcal/mol:

-93.29

Dipole, Da:

8.41

IP(EA), eV:

 -9.21(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-cyano-6-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-2-yl)-4-methylcyclohexa-1,5-dien-1-yl]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)O)NC1=O)N4CCC(=CC4=O)C5=NC(=CC=C5)Cl

DOS

IR

Vibrations