Geometry & MOs

Info

ID:

214795

PubChem CID:

85083656

Reduced:

O9H34C36 (1)

Stoich.:

A9B34C36 (1)

Weight, g/mol:

610.296242

ΔHf, kcal/mol:

-300.91

Dipole, Da:

2.37

IP(EA), eV:

 -9.98(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3,4,5-trihydroxy-6-oxo-1-propylpiperidin-2-yl)methyl]-3-[4-[[(3,4,5-trihydroxy-6-oxo-1-propylpiperidin-2-yl)methylcarbamoylamino]methyl]phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC(CC(CC(CCO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations