Geometry & MOs

Info

ID:	377844
PubChem CID:	134223909
Reduced:	NOS2H29C43 (1)
Stoich.:	ABC2D29E43 (1)
Weight, g/mol:	535.106457
ΔH_f, kcal/mol:	141.62
Dipole, Da:	0.87
IP(EA), eV:	-8.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2-dibenzothiophen-4-yl-6-(6-dibenzothiophen-4-yl-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(S2)C(=CC=C3)C4=CC=CC(=N4)C5=CC=CC(=C5OCC6=CC=CC=C6)C7=CC=CC8=C7SC9=CC=CC=C89

DOS

IR

Vibrations