Geometry & MOs

Info

ID:	437127
PubChem CID:	135215036
Reduced:	O2N3H19C33 (1)
Stoich.:	A2B3C19D33 (1)
Weight, g/mol:	613.16464
ΔH_f, kcal/mol:	132.51
Dipole, Da:	1.69
IP(EA), eV:	-8.63(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC5=C(C=C4)OC6=NC7=CC=CC=C7N=C6O5)C8=CC=NC=C8

DOS

IR

Vibrations