Geometry & MOs

Info

ID:	334303
PubChem CID:	127252855
Reduced:	N2O7C22H24 (1)
Stoich.:	A2B7C22D24 (1)
Weight, g/mol:	508.070715
ΔH_f, kcal/mol:	-214.51
Dipole, Da:	4.28
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-3-hydroxybenzenesulfonamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations