Geometry & MOs

Info

ID:

439797

PubChem CID:

135229618

Reduced:

SN2O2H68C112 (1)

Stoich.:

AB2C2D68E112 (1)

Weight, g/mol:

766.298414

ΔHf, kcal/mol:

410.67

Dipole, Da:

1.22

IP(EA), eV:

 -7.96(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,1-N,4-N-triphenyl-4-N-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]-3'-ylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=CC=CC=C4C=C3)C5=CC6=C(C=C5)C7(C8=C(C9=C(C=CC(=C9)C1=CC=CC(=C1)C1=CC=C(C=C1)N(C1=CC2=C(C=C1)C1(C3=C(C4=CC=CC=C4C=C3)OC3=C1C=CC1=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC2=C1SC1=CC=CC=C21)C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC=CC=C16

DOS

IR

Vibrations