Geometry & MOs

Info

ID:	364950
PubChem CID:	127316600
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	379.112126
ΔH_f, kcal/mol:	-98.49
Dipole, Da:	7.73
IP(EA), eV:	-8.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations