Geometry & MOs

Info

ID:	85066
PubChem CID:	49871575
Reduced:	OSC3H3 (2)
Stoich.:	ABC3D3 (2)
Weight, g/mol:	418.199153
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	2.4
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S,3S,4R,5R)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2,3-dimethoxyphenol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1O)S)S)O

DOS

IR

Vibrations