Geometry & MOs

Info

ID:	46771
PubChem CID:	10527170
Reduced:	O4C12H13 (2)
Stoich.:	A4B12C13 (2)
Weight, g/mol:	442.119858
ΔH_f, kcal/mol:	-289.89
Dipole, Da:	3.31
IP(EA), eV:	-9.49(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-[(1-methyl-2-oxoquinolin-4-yl)oxymethyl]-1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C(O[C@H]2[C@@]1(OC[C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C

DOS

IR

Vibrations