Geometry & MOs

Info

ID:

377428

PubChem CID:

134223480

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

1343.395018

ΔHf, kcal/mol:

228.95

Dipole, Da:

2.64

IP(EA), eV:

 -7.95(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-8-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3-[14-phenyl-17-(11-phenyl-[1]benzofuro[3,2-b]carbazol-8-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C8=C(C=C6)C9=CC=CC=C9N8C1=CC=CC=C1)C1=C2C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations