Geometry & MOs

Info

ID:

432928

PubChem CID:

135173065

Reduced:

S2O6N7C11H11 (1)

Stoich.:

A2B6C7D11E11 (1)

Weight, g/mol:

1213.8568

ΔHf, kcal/mol:

-127.63

Dipole, Da:

4.36

IP(EA), eV:

 -9.22(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl [5-[1-[4-[1,1-bis(4-hydroxy-3-iodo-5-methylphenyl)ethyl]phenyl]-1-(4-hydroxy-3-iodo-5-methylphenyl)ethyl]-2-hydroxy-3-iodophenyl]sulfanylformate

Drug info:

PubChemData

Smile

C1=CC(=NC=C1/C=N/NC(=O)CSC2=NNC(=O)NC2=O)OS(=O)(=O)N

DOS

IR

Vibrations