Geometry & MOs

Info

ID:	313391
PubChem CID:	126614338
Reduced:	SN4H30C36 (1)
Stoich.:	AB4C30D36 (1)
Weight, g/mol:	721.255169
ΔH_f, kcal/mol:	167.6
Dipole, Da:	6.06
IP(EA), eV:	-7.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2,3,5,5a-tetrahydronaphtho[2,1-g][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC4=C(C=CC5=C4C6=C(C=C5)SC(N6)C7=CC=CC=C7)C=C3)C8=CC=CC=C8

DOS

IR

Vibrations