Geometry & MOs

Info

ID:

377436

PubChem CID:

134223488

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

1343.395018

ΔHf, kcal/mol:

159.47

Dipole, Da:

2.56

IP(EA), eV:

 -8.01(-0.68)

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-18-yl)-2-[14-phenyl-18-(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-12-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)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC=C9)C1=C2C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations