Geometry & MOs

Info

ID:

145281

PubChem CID:

53492302

Reduced:

N2P2O11C23H36 (1)

Stoich.:

A2B2C11D23E36 (1)

Weight, g/mol:

699.099467

ΔHf, kcal/mol:

-573.48

Dipole, Da:

5.38

IP(EA), eV:

 -9.01(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

lithium;2-[[2-hydroxy-4,6-bis(hydroxymethyl)phenyl]methyl-(phosphonatomethyl)amino]-3-[[6-hydroxy-2,3-bis(hydroxymethyl)phenyl]methyl-(phosphonatomethyl)amino]butane-1,4-diol;iron(3+)

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)CO)O)CN(CCN(CC2=C(C=CC(=C2)CO)O)C(CO)P(=O)(O)O)CP(=O)(O)O

DOS

IR

Vibrations