Geometry & MOs

Info

ID:	310571
PubChem CID:	126582527
Reduced:	ON3H25C41 (1)
Stoich.:	AB3C25D41 (1)
Weight, g/mol:	566.18167
ΔH_f, kcal/mol:	182.47
Dipole, Da:	6.18
IP(EA), eV:	-8.74(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbazol-9-yl-2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)C5=C(O4)C=CC(=C5)C6=C(C=C(C=C6)C#N)N7C8=C(C=C(C=C8)C#N)C9=CC=CC=C97)C

DOS

IR

Vibrations