Geometry & MOs

Info

ID:	334680
PubChem CID:	127253355
Reduced:	NO2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	444.0758
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	4.49
IP(EA), eV:	-8.7(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations