Geometry & MOs

Info

ID:	227981
PubChem CID:	87563169
Reduced:	SN3O10C13H23 (1)
Stoich.:	AB3C10D13E23 (1)
Weight, g/mol:	413.110415
ΔH_f, kcal/mol:	-432.08
Dipole, Da:	4.34
IP(EA), eV:	-10.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-sulfanylpropanoic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.C(C(C(=O)O)N)S

DOS

IR

Vibrations