Geometry & MOs

Info

ID:

225851

PubChem CID:

87235691

Reduced:

NO9C16H19 (1)

Stoich.:

AB9C16D19 (1)

Weight, g/mol:

525.081047

ΔHf, kcal/mol:

-197.44

Dipole, Da:

3.35

IP(EA), eV:

 -9.46(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(3Z)-3-[1-(cyclopropylmethylamino)-2,4-dioxoquinolin-3-ylidene]-1,1-dihydroxy-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(C2CO2)OC)[N+](=O)[O-])OCC(=O)OCC3CO3

DOS

IR

Vibrations