Geometry & MOs

Info

ID:	227980
PubChem CID:	87563167
Reduced:	N2O2C5H6 (1)
Stoich.:	A2B2C5D6 (1)
Weight, g/mol:	413.110415
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	4.6
IP(EA), eV:	-9.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[3H]C([3H])([3H])C1=CN(C(=O)N(C1=O)[3H])[3H]

DOS

IR

Vibrations