Geometry & MOs

Info

ID:	159247
PubChem CID:	57269252
Reduced:	SO4C15H32 (1)
Stoich.:	AB4C15D32 (1)
Weight, g/mol:	539.243872
ΔH_f, kcal/mol:	-240.81
Dipole, Da:	3.15
IP(EA), eV:	-10.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis[2-[(1-amino-4,5-dihydroxy-1-oxopentan-2-yl)-(carboxymethyl)amino]ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O

DOS

IR

Vibrations