Geometry & MOs

Info

ID:	232315
PubChem CID:	87575983
Reduced:	O2N4C11H26 (1)
Stoich.:	A2B4C11D26 (1)
Weight, g/mol:	599.174472
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	5.71
IP(EA), eV:	-9.38(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2,5-dioxopyrrolidine-3-sulfonic acid;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCN)(CCN)CN

DOS

IR

Vibrations