Geometry & MOs

Info

ID:	13594
PubChem CID:	395672
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	3.43
IP(EA), eV:	-9.38(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butylphenyl)-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC=C3

DOS

IR

Vibrations