Geometry & MOs

Info

ID:	84453
PubChem CID:	49866477
Reduced:	N5C10H11 (1)
Stoich.:	A5B10C11 (1)
Weight, g/mol:	536.085798
ΔH_f, kcal/mol:	101.94
Dipole, Da:	7.03
IP(EA), eV:	-9.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3E)-3-[2-(3-methylbutyl)-3,5-dioxo-6-thiophen-2-ylpyridazin-4-ylidene]-1,1-dioxo-4H-1lambda6,4-benzothiazin-7-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C/C=C\CC=NC1=NC=NC2=C1NC=N2

DOS

IR

Vibrations