Geometry & MOs

Info

ID:

310572

PubChem CID:

126582529

Reduced:

SN2H26C40 (1)

Stoich.:

AB2C26D40 (1)

Weight, g/mol:

657.13334

ΔHf, kcal/mol:

181.67

Dipole, Da:

3.05

IP(EA), eV:

 -8.29(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-carbazol-9-yl-3-[16-(4-cyanophenyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)C5=C(S4)C=CC(=C5)C6=C(C=CC=C6N7C8=CC=CC=C8C9=CC=CC=C97)C#N)C

DOS

IR

Vibrations