Geometry & MOs

Info

ID:	361095
PubChem CID:	127301985
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	381.127776
ΔH_f, kcal/mol:	-24.47
Dipole, Da:	5.59
IP(EA), eV:	-8.82(-0.41)
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-[(1-ethylpiperidin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)CCC2=C(N3C(=CC(=N3)C)N=C2C)C

DOS

IR

Vibrations