Geometry & MOs

Info

ID:	72595
PubChem CID:	48416343
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	408.102289
ΔH_f, kcal/mol:	-43.24
Dipole, Da:	3.21
IP(EA), eV:	-9.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[2-oxo-2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NC=CN=C2N)N3CCNC3=O

DOS

IR

Vibrations