Geometry & MOs

Info

ID:	6084
PubChem CID:	14432
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-206.69
Dipole, Da:	8.35
IP(EA), eV:	-9.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C(=O)O)NCCNC(C2=CC=CC=C2O)C(=O)O)O

DOS

IR

Vibrations