Geometry & MOs

Info

ID:	887
PubChem CID:	3486
Reduced:	SN3O9C10H17 (1)
Stoich.:	AB3C9D10E17 (1)
Weight, g/mol:	355.06855
ΔH_f, kcal/mol:	-394.85
Dipole, Da:	5.12
IP(EA), eV:	-10.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N

DOS

IR

Vibrations