Geometry & MOs

Info

ID:	11229
PubChem CID:	112125
Reduced:	CuSN2O8C14H32 (1)
Stoich.:	ABC2D8E14F32 (1)
Weight, g/mol:	451.117534
ΔH_f, kcal/mol:	-327.37
Dipole, Da:	10.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791562
Charge, e:	0

Chem-info

IUPAC name:

copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;sulfate

Drug info:

PubChemData

Smile

CC(CN(CCN(CC(C)O)CC(C)O)CC(C)O)O.[O-]S(=O)(=O)[O-].[Cu+2]

DOS

IR

Vibrations