Geometry & MOs

Info

ID:	6509
PubChem CID:	68785
Reduced:	NSO5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	401.129694
ΔH_f, kcal/mol:	-148.49
Dipole, Da:	5.39
IP(EA), eV:	-9.54(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

DOS

IR

Vibrations