Geometry & MOs

Info

ID:	229367
PubChem CID:	87567488
Reduced:	KO4C8H14 (1)
Stoich.:	AB4C8D14 (1)
Weight, g/mol:	564.151255
ΔH_f, kcal/mol:	-181.47
Dipole, Da:	2.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z)-3-[1-[(4-fluorophenyl)methyl]-6-(3-methylbutyl)-2,4-dioxopiperidin-3-ylidene]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(=O)OC.[K]

DOS

IR

Vibrations