Geometry & MOs

Info

ID:	161951
PubChem CID:	57393158
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	436.084141
ΔH_f, kcal/mol:	-100.94
Dipole, Da:	6.48
IP(EA), eV:	-8.7(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-ylidene)-1-(2H-pyran-4-ylamino)quinoline-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)NN2C3=CC=CC=C3C(=O)/C(=C\4/NC5=CC=CC=C5S(=O)(=O)N4)/C2=O

DOS

IR

Vibrations