Geometry & MOs

Info

ID:	229581
PubChem CID:	87568082
Reduced:	NO4C5H11 (1)
Stoich.:	AB4C5D11 (1)
Weight, g/mol:	602.110533
ΔH_f, kcal/mol:	-193.63
Dipole, Da:	4.73
IP(EA), eV:	-10.29(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z)-3-[1,5-bis[(4-fluorophenyl)methyl]-2,4-dioxopiperidin-3-ylidene]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(CO)NC(=O)O)O

DOS

IR

Vibrations