Geometry & MOs

Info

ID:	156476
PubChem CID:	56370765
Reduced:	SO4N5C22H27 (1)
Stoich.:	AB4C5D22E27 (1)
Weight, g/mol:	416.067822
ΔH_f, kcal/mol:	-132.42
Dipole, Da:	8.0
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,2,4-trioxo-1H-2lambda6,3-benzothiazin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3SCC(=O)N

DOS

IR

Vibrations