Geometry & MOs

Info

ID:	309475
PubChem CID:	126546502
Reduced:	SO2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	488.196567
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	6.31
IP(EA), eV:	-9.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-6-[4-chloro-3-[[4-(2-oxaspiro[3.5]nonan-7-yloxy)phenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C)\S(=O)(=O)/C(=C/C)/C=C\C=C

DOS

IR

Vibrations