Geometry & MOs

Info

ID:	23875
PubChem CID:	606977
Reduced:	NSO3C22H33 (1)
Stoich.:	ABC3D22E33 (1)
Weight, g/mol:	391.218115
ΔH_f, kcal/mol:	-117.8
Dipole, Da:	5.18
IP(EA), eV:	-9.62(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-pentadecyl-1,3-benzothiazole-6,7-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=C(C2=C(C(=O)C1=O)SC=N2)O

DOS

IR

Vibrations