Geometry & MOs

Info

ID:

313396

PubChem CID:

126614375

Reduced:

N6O10C39H59 (2)

Stoich.:

A6B10C39D59 (2)

Weight, g/mol:

554.18167

ΔHf, kcal/mol:

-848.85

Dipole, Da:

10.17

IP(EA), eV:

 -8.93(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-9-(9-phenylcarbazol-3-yl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CNCCN(CCN(CCNCC(=O)NCCOCCOCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)CC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)CC(=O)NCCOCCOCCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations