Geometry & MOs

Info

ID:

377392

PubChem CID:

134223443

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

740.282764

ΔHf, kcal/mol:

188.09

Dipole, Da:

2.43

IP(EA), eV:

 -8.02(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-16-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

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=C8SC7=C6)C9=CC=CC=C9)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations