Geometry & MOs

Info

ID:	394260
PubChem CID:	135022650
Reduced:	SO3H9C13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	515.209658
ΔH_f, kcal/mol:	-114.7
Dipole, Da:	8.08
IP(EA), eV:	-8.96(-1.09)
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]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(OC2=O)C3=CC=C(S3)C4=CC=C(S4)C5C6=CC=CC=C6C(=O)O5)OC

DOS

IR

Vibrations