Geometry & MOs

Info

ID:	181414
PubChem CID:	76745219
Reduced:	ClSO2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	409.241256
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	6.6
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-hydroxy-1-methoxydocosa-7,10,13,16,19-pentaene-5-sulfinate

Drug info:

PubChemData

Smile

CCC(=NS(=O)(=O)N1CCCCC1)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations