Geometry & MOs

Info

ID:	389427
PubChem CID:	134992865
Reduced:	ClNaC2O2S2H4 (1)
Stoich.:	ABC2D2E2F4 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	11.07
IP(EA), eV:	-8.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-3,5-dimethyl-1-phenylmethoxyhex-5-ene-2,4-diol

Drug info:

PubChemData

Smile

C(CCl)S(=O)(=O)[S-].[Na+]

DOS

IR

Vibrations