Geometry & MOs

Info

ID:	220581
PubChem CID:	85197876
Reduced:	S2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	12.12
Dipole, Da:	4.83
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbutan-2-yl] acetate

Drug info:

PubChemData

Smile

C1CSC2(S1)C3C4CC5C3C(=O)C67C5C4C26C8C=CC7OO8

DOS

IR

Vibrations