Geometry & MOs

Info

ID:	180217
PubChem CID:	76600661
Reduced:	ClSN2O4C11H11 (1)
Stoich.:	ABC2D4E11F11 (1)
Weight, g/mol:	450.099791
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	5.16
IP(EA), eV:	-9.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-(7-nitro-1,1-dioxo-2-phenyl-4H-1lambda6,2,4-benzothiadiazin-3-ylidene)acetamide

Drug info:

PubChemData

Smile

CN1C(=CC(=O)OC)NC2=C(S1(=O)=O)C=CC(=C2)Cl

DOS

IR

Vibrations