Geometry & MOs

Info

ID:	225858
PubChem CID:	87235771
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	488.09366
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	2.72
IP(EA), eV:	-9.22(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-3-[1-(cyclobutylamino)-2,4-dioxoquinolin-3-ylidene]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methylurea

Drug info:

PubChemData

Smile

CCCN(CC)C(=O)CCOC(C)(C)C

DOS

IR

Vibrations