Geometry & MOs

Info

ID:	218083
PubChem CID:	85088838
Reduced:	S2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	426.186251
ΔH_f, kcal/mol:	-75.18
Dipole, Da:	3.6
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxol-5-yl)-7-[dimethyl(phenyl)silyl]-3-(methoxymethoxy)hepta-4,6-dien-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CS(=O)(=O)C2C(C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations