Geometry & MOs

Info

ID:	159913
PubChem CID:	57298370
Reduced:	C2O2S2H5 (1)
Stoich.:	A2B2C2D5 (1)
Weight, g/mol:	402.240624
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	5.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.709103
Charge, e:	0

Chem-info

IUPAC name:

[8-[(1R,2S)-2-(4-hydroxy-4-methylocta-1,5-dienyl)-5-oxocyclopent-3-en-1-yl]-2-oxooct-6-enyl] acetate

Drug info:

PubChemData

Smile

CC(S)S(=O)[O-]

DOS

IR

Vibrations