Geometry & MOs

Info

ID:	399356
PubChem CID:	135039801
Reduced:	N2S2O3C10H20 (1)
Stoich.:	A2B2C3D10E20 (1)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-94.1
Dipole, Da:	3.23
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6E,8R,10E)-dodeca-6,10-diene-1,4,8-triol

Drug info:

PubChemData

Smile

CC([S@@](=O)/N=C/O/C=N/[S@](=O)C(C)(C)C)(C)C

DOS

IR

Vibrations