Geometry & MOs

Info

ID:

431453

PubChem CID:

135171533

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

1676.473996

ΔHf, kcal/mol:

162.35

Dipole, Da:

2.26

IP(EA), eV:

 -7.96(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-[7-[4-[9-(11,15-dioxa-18-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,19,21,23,25-dodecaen-26-yl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-yl]-7-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazol-9-yl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=C8C(=CC=C7)OC9=C8C=C1C3=CC=CC=C3OC1=C9)C1=CC=CC=C12

DOS

IR

Vibrations