Geometry & MOs

Info

ID:	125123
PubChem CID:	50910472
Reduced:	TiC4Cl4N4O4 (1)
Stoich.:	AB4C4D4E4 (1)
Weight, g/mol:	302.982369
ΔH_f, kcal/mol:	29.63
Dipole, Da:	2.51
IP(EA), eV:	-9.35(-3.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-carboxyethyl(1,3,4-thiadiazol-2-yl)amino]propanoic acid;nickel

Drug info:

PubChemData

Smile

C(=N[O-])(C(=N[O-])Cl)Cl.C(=N[O-])(C(=N[O-])Cl)Cl.[Ti]

DOS

IR

Vibrations