Geometry & MOs

Info

ID:

377390

PubChem CID:

134223440

Reduced:

SN2O2H30C54 (1)

Stoich.:

AB2C2D30E54 (1)

Weight, g/mol:

740.282764

ΔHf, kcal/mol:

186.03

Dipole, Da:

2.25

IP(EA), eV:

 -8.09(-0.91)

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[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(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=C8OC7=C6)C9=CC1=C(C=C9)SC3=CC=CC=C31)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations