Geometry & MOs

Info

ID:	15019
PubChem CID:	427320
Reduced:	NO10C21H25 (1)
Stoich.:	AB10C21D25 (1)
Weight, g/mol:	451.147846
ΔH_f, kcal/mol:	-400.87
Dipole, Da:	2.69
IP(EA), eV:	-9.06(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-anilinoacetyl)-2-hydroxybenzoic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)O.C(C1C(C(C(C(O1)O)O)O)O)O

DOS

IR

Vibrations