Geometry & MOs

Info

ID:

314353

PubChem CID:

126621696

Reduced:

NSH25C37 (1)

Stoich.:

ABC25D37 (1)

Weight, g/mol:

564.16602

ΔHf, kcal/mol:

138.17

Dipole, Da:

1.1

IP(EA), eV:

 -7.97(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(9-phenylcarbazol-3-yl)-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),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=CC=CC=C5C6=C4C=C7C(=C6)C=CC8=C7SC9=CC=CC=C89)C

DOS

IR

Vibrations