Geometry & MOs

Info

ID:

312872

PubChem CID:

126609357

Reduced:

S2O9N11C44H55 (1)

Stoich.:

A2B9C11D44E55 (1)

Weight, g/mol:

602.15611

ΔHf, kcal/mol:

-237.97

Dipole, Da:

11.55

IP(EA), eV:

 -8.41(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[acetyl(hydroxy)amino]propyl]-N'-hydroxy-N'-[3-[[4-[hydroxy-[3-(iodoamino)propyl]amino]-4-oxobutanoyl]amino]propyl]butanediamide

Drug info:

PubChemData

Smile

CCCC1=NN(C2=C1C=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C(=O)N5CCN(CC5)S(=O)(=O)C6=CC(=C(C=C6)OCC)C7=NC(=O)C8=C(N7)C(=NN8C)CCC)OCC)C

DOS

IR

Vibrations