Geometry & MOs

Info

ID:	413788
PubChem CID:	135086738
Reduced:	ClSO2N4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	258.183109
ΔH_f, kcal/mol:	23.65
Dipole, Da:	3.64
IP(EA), eV:	-8.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S,9S,10S)-tetradeca-1,13-diene-5,6,9,10-tetrol

Drug info:

PubChemData

Smile

CCN\1C2=C(C=C(C=C2)Cl)C(=[N+]=[N-])/C1=N/S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations