Geometry & MOs

Info

ID:	401125
PubChem CID:	135050252
Reduced:	SO4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	509.196901
ΔH_f, kcal/mol:	-189.56
Dipole, Da:	4.61
IP(EA), eV:	-9.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R,4R,5S,6R)-2-chloro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCC(CC1(OCCO1)C)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations