Geometry & MOs

Info

ID:	45036
PubChem CID:	10507428
Reduced:	SN2O8C30H30 (1)
Stoich.:	AB2C8D30E30 (1)
Weight, g/mol:	578.179681
ΔH_f, kcal/mol:	-248.53
Dipole, Da:	9.62
IP(EA), eV:	-9.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5S)-1,6-bis(benzenesulfinyl)-2,5-bis(phenylmethoxy)hexane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@H]([C@@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)S(=O)(=O)CCO

DOS

IR

Vibrations