Geometry & MOs

Info

ID:

428778

PubChem CID:

135168157

Reduced:

SN2H48C78 (1)

Stoich.:

AB2C48D78 (1)

Weight, g/mol:

1044.353821

ΔHf, kcal/mol:

346.86

Dipole, Da:

1.41

IP(EA), eV:

 -8.04(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-1-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)SC8=CC=CC=C87)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C4=CC=CC=C4C4=C2C1=CC=C4)C1=CC=CC=C1C=C3)C1=CC=CC=C1

DOS

IR

Vibrations