Geometry & MOs

Info

ID:	318244
PubChem CID:	126650039
Reduced:	SO12C38H42 (1)
Stoich.:	AB12C38D42 (1)
Weight, g/mol:	267.074287
ΔH_f, kcal/mol:	-401.36
Dipole, Da:	3.46
IP(EA), eV:	-8.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[carboxy(ethyl)amino]methyl]phthalic acid

Drug info:

PubChemData

Smile

CS(=O)C.C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2.C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

DOS

IR

Vibrations