Geometry & MOs

Info

ID:	45755
PubChem CID:	10517327
Reduced:	PSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	286.178024
ΔH_f, kcal/mol:	-184.27
Dipole, Da:	2.87
IP(EA), eV:	-9.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)OC/C=C/C1=CC=CC=C1

DOS

IR

Vibrations