Geometry & MOs

Info

ID:

439837

PubChem CID:

135229680

Reduced:

NOH55C89 (1)

Stoich.:

ABC55D89 (1)

Weight, g/mol:

897.306536

ΔHf, kcal/mol:

413.71

Dipole, Da:

2.21

IP(EA), eV:

 -8.13(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C16)C1=CC=CC(=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations