Geometry & MOs

Info

ID:	158297
PubChem CID:	56463316
Reduced:	ON2C7H8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	458.154325
ΔH_f, kcal/mol:	42.41
Dipole, Da:	8.46
IP(EA), eV:	-8.67(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=NNC4=C3C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations