Geometry & MOs

Info

ID:	156726
PubChem CID:	56371921
Reduced:	NSO5H17C21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	400.076279
ΔH_f, kcal/mol:	-148.35
Dipole, Da:	7.48
IP(EA), eV:	-8.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,4-trioxo-1H-2lambda6,3-benzothiazin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C=C2C1)OC(=O)C=C3CN4C(=O)C5=CC=CC=C5CS4(=O)=O

DOS

IR

Vibrations