Geometry & MOs

Info

ID:

378549

PubChem CID:

134224638

Reduced:

NSH15C26 (1)

Stoich.:

ABC15D26 (1)

Weight, g/mol:

564.16602

ΔHf, kcal/mol:

113.63

Dipole, Da:

1.58

IP(EA), eV:

 -8.08(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(9-phenylcarbazol-3-yl)-12-thia-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC5=C(C=C4N3)SC6=C5C7=CC=CC=C7C=C6

DOS

IR

Vibrations