Geometry & MOs

Info

ID:

378669

PubChem CID:

134224763

Reduced:

SN2H30C50 (1)

Stoich.:

AB2C30D50 (1)

Weight, g/mol:

718.24427

ΔHf, kcal/mol:

233.61

Dipole, Da:

1.42

IP(EA), eV:

 -7.85(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N,14,22,24-pentakis-phenyl-12-thia-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=C5C6=C(C7=CC=CC=C7C=C6)N(C5=CC8=C4C9=C(S8)C=CC1=CC=CC=C19)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations