Geometry & MOs

Info

ID:

310277

PubChem CID:

126577789

Reduced:

N2S2O4C32H43 (1)

Stoich.:

A2B2C4D32E43 (1)

Weight, g/mol:

584.200097

ΔHf, kcal/mol:

-108.08

Dipole, Da:

5.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.081227

Charge, e:

 0

Chem-info

IUPAC name:

22-(7-phenylbenzo[c]carbazol-10-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene

Drug info:

PubChemData

Smile

CCCC[N+]1=CC=C(C=C1)C(CC(C)(C(=O)OCCOC)C(C)(CCC(=O)C)C#N)CSC(=S)C2=CC=CC=C2

DOS

IR

Vibrations