Geometry & MOs

Info

ID:

439769

PubChem CID:

135229589

Reduced:

SO3N9C39H43 (1)

Stoich.:

AB3C9D39E43 (1)

Weight, g/mol:

1153.428365

ΔHf, kcal/mol:

37.6

Dipole, Da:

1.71

IP(EA), eV:

 -8.34(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-2-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)-9,9'-spirobi[fluorene]-3-amine

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C=C([C@H]4CCN(C4)CC(=O)C5CCN(CC5)C6=NC=C(C=C6)C7=NC=CC=N7)SC

DOS

IR

Vibrations