Geometry & MOs

Info

ID:	311697
PubChem CID:	126596888
Reduced:	O2N3H25C39 (1)
Stoich.:	A2B3C25D39 (1)
Weight, g/mol:	568.19732
ΔH_f, kcal/mol:	219.9
Dipole, Da:	3.19
IP(EA), eV:	-8.22(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbazol-9-yl-4-(12,12-dimethylfluoreno[1,2-b][1]benzothiol-8-yl)cyclohexa-2,4-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)N(C3=CC=CC=C23)C4=C(C=C(C=C4)C#N)C5=CC6=C(C=C5)OC7C6C=C8C(=C7)C9=C(O8)C=CC(=C9)C#N

DOS

IR

Vibrations