Geometry & MOs

Info

ID:	334809
PubChem CID:	127253484
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	473.087744
ΔH_f, kcal/mol:	-193.65
Dipole, Da:	5.5
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4CCCCC4

DOS

IR

Vibrations