Geometry & MOs

Info

ID:

431521

PubChem CID:

135171602

Reduced:

NOSH16C30 (2)

Stoich.:

ABCD16E30 (2)

Weight, g/mol:

772.200691

ΔHf, kcal/mol:

216.78

Dipole, Da:

1.93

IP(EA), eV:

 -8.1(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)OC6=C5C=C7C8=CC=CC=C8OC7=C6)C=CC(=C3)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC2=C(C=C1)SC1=C2C=C2C3=CC=CC=C3SC2=C1

DOS

IR

Vibrations