Geometry & MOs

Info

ID:	146436
PubChem CID:	53688578
Reduced:	O3C15H25 (2)
Stoich.:	A3B15C25 (2)
Weight, g/mol:	179.040485
ΔH_f, kcal/mol:	-309.83
Dipole, Da:	6.6
IP(EA), eV:	-9.2(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4H-1,2-benzothiazin-3-one

Drug info:

PubChemData

Smile

CCCCC(C)(C)CC(=CC([C@H]1CCC(=O)[C@H]1CC=CCCCC(=O)OC)OC)OC2CCCCO2

DOS

IR

Vibrations