Geometry & MOs

Info

ID:	182032
PubChem CID:	76831308
Reduced:	F2N2O2C21H26 (1)
Stoich.:	A2B2C2D21E26 (1)
Weight, g/mol:	455.074026
ΔH_f, kcal/mol:	-122.28
Dipole, Da:	4.2
IP(EA), eV:	-9.37(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-1,3-benzothiazol-2-yl)-1-[1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NO1)CC(=O)C2CCCCN2CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations