Geometry & MOs

Info

ID:

314449

PubChem CID:

126621840

Reduced:

OSN3H43C68 (1)

Stoich.:

ABC3D43E68 (1)

Weight, g/mol:

1050.375619

ΔHf, kcal/mol:

276.95

Dipole, Da:

2.95

IP(EA), eV:

 -8.01(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)-5-(22-phenyl-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC(=CC(=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)OC8=CC=CC=C87)N(C9=CC=CC=C9)C1=CC3=CC=CC=C3C=C1)C1=C2C=C2C(=C1)C=CC1=C2C2=CC=CC=C2S1

DOS

IR

Vibrations