Geometry & MOs

Info

ID:	394257
PubChem CID:	135022647
Reduced:	SO6H14C22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	575.230788
ΔH_f, kcal/mol:	-136.26
Dipole, Da:	10.0
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-hexyl-6-(3-oxo-1H-2-benzofuran-1-yl)carbazol-3-yl]-5,6-dimethoxy-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1COC2=C(SC(=C2O1)C3C4=CC=CC=C4C(=O)O3)C5C6=CC=CC=C6C(=O)O5

DOS

IR

Vibrations