Geometry & MOs

Info

ID:	200578
PubChem CID:	79412404
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	209.087435
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	4.04
IP(EA), eV:	-8.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6,7-dihydro-5H-1,3-benzothiazol-4-one

Drug info:

PubChemData

Smile

CCCC1=C(ON=C1N)C2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations