Geometry & MOs

Info

ID:	225863
PubChem CID:	87235785
Reduced:	SN5O6C22H23 (1)
Stoich.:	AB5C6D22E23 (1)
Weight, g/mol:	428.079055
ΔH_f, kcal/mol:	-162.29
Dipole, Da:	4.81
IP(EA), eV:	-8.65(-1.36)
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)-5-ethyl-2,4-dioxo-1,8-naphthyridin-1-yl] acetate

Drug info:

PubChemData

Smile

CCCCNC1=CC2=C(C=C1)C(=O)/C(=C/3\NSC4=CC(=CC(=C4N3O)O)OCC(=O)N)/C(=O)N2

DOS

IR

Vibrations