Geometry & MOs

Info

ID:

311671

PubChem CID:

126596856

Reduced:

O2N3H25C44 (1)

Stoich.:

A2B3C25D44 (1)

Weight, g/mol:

585.13334

ΔHf, kcal/mol:

206.96

Dipole, Da:

2.61

IP(EA), eV:

 -8.57(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(2-carbazol-9-yl-3-cyanocyclohexa-2,4-dien-1-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,12,15(20),16,18-octaene-6-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=CC(=C1)C#N)C2=CC3=C(C=C2)OC4=C3C=C5C(=C4)OC6=C5C=C(C=C6)C7=CC=CC(=C7N8C9=CC=CC=C9C1=CC=CC=C18)C#N

DOS

IR

Vibrations