Geometry & MOs

Info

ID:	369896
PubChem CID:	127336733
Reduced:	ClN2O5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	337.091869
ΔH_f, kcal/mol:	-210.21
Dipole, Da:	3.48
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)CNC(=O)NCC(C3CCOCC3)O)Cl)OC1

DOS

IR

Vibrations