Geometry & MOs

Info

ID:	326399
PubChem CID:	126687477
Reduced:	ClINOC8H11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	434.17631
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	2.4
IP(EA), eV:	-9.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-[5-[(4-ethoxyphenyl)methyl]-2-methoxy-4-methylphenyl]-6-(hydroxymethyl)thiane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CC(=C(C1)NO)/C(=C\CI)/Cl

DOS

IR

Vibrations