Geometry & MOs

Info

ID:	229339
PubChem CID:	87567437
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	564.151255
ΔH_f, kcal/mol:	-178.44
Dipole, Da:	4.73
IP(EA), eV:	-9.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z)-3-[1-[(4-fluorophenyl)methyl]-5-(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)N(C=O)C(CC1=CC=CC=C1)CO

DOS

IR

Vibrations