Geometry & MOs

Info

ID:	229732
PubChem CID:	87568691
Reduced:	O2C11H21 (2)
Stoich.:	A2B11C21 (2)
Weight, g/mol:	550.135605
ΔH_f, kcal/mol:	-271.0
Dipole, Da:	0.74
IP(EA), eV:	-10.65(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)CC(C)(CCCCC(C)C(=O)O)C(=O)O

DOS

IR

Vibrations