Geometry & MOs

Info

ID:	12324
PubChem CID:	134893
Reduced:	N2O8C19H20 (1)
Stoich.:	A2B8C19D20 (1)
Weight, g/mol:	404.121966
ΔH_f, kcal/mol:	-305.4
Dipole, Da:	4.08
IP(EA), eV:	-9.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[carboxy-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C(=O)O)NCCNC(C2=C(C=CC(=C2)C(=O)O)O)C(=O)O)O

DOS

IR

Vibrations