Geometry & MOs

Info

ID:	225891
PubChem CID:	87235935
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	508.152889
ΔH_f, kcal/mol:	-17.17
Dipole, Da:	7.09
IP(EA), eV:	-9.25(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-(cyclopropylmethylamino)-3-[7-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-ylidene]quinoline-2,4-dione

Drug info:

PubChemData

Smile

C#CC1CCC(N1C(=O)CNC2(CCCCC2)OC3=C(C=C(C=C3)C#N)F)C#N

DOS

IR

Vibrations