Geometry & MOs

Info

ID:	388963
PubChem CID:	134990764
Reduced:	F2O5C20H32 (1)
Stoich.:	A2B5C20D32 (1)
Weight, g/mol:	757.2255
ΔH_f, kcal/mol:	-373.08
Dipole, Da:	4.12
IP(EA), eV:	-10.04(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

gadolinium;(2S,3S,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(O2)O)OC3CCCCO3)(F)F

DOS

IR

Vibrations