Geometry & MOs

Info

ID:	334245
PubChem CID:	127252797
Reduced:	NO4H17C24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	513.130278
ΔH_f, kcal/mol:	-72.89
Dipole, Da:	2.11
IP(EA), eV:	-8.82(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CC(=C(C=C5)O)O

DOS

IR

Vibrations