Geometry & MOs

Info

ID:	360385
PubChem CID:	127301030
Reduced:	OSCl2N4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	371.141596
ΔH_f, kcal/mol:	30.43
Dipole, Da:	5.99
IP(EA), eV:	-9.24(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)N4C=NC=N4

DOS

IR

Vibrations