Geometry & MOs

Info

ID:

314347

PubChem CID:

126621650

Reduced:

OSN3H33C54 (1)

Stoich.:

ABC3D33E54 (1)

Weight, g/mol:

1050.375619

ΔHf, kcal/mol:

229.14

Dipole, Da:

2.13

IP(EA), eV:

 -8.23(-1.36)

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-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC4=C(C=C31)C5=C(N4C6=NC(=C7C8=C(C=CC9=CC=CC=C98)SC7=N6)C1=CC=CC=C1)C=CC(=C5)C1=CC=CC=C1)OC1=C2C=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations