Geometry & MOs

Info

ID:	414114
PubChem CID:	135087068
Reduced:	SO3H14C19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	268.149471
ΔH_f, kcal/mol:	40.36
Dipole, Da:	3.2
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,2-dimethyl-5-(3-trimethylsilylprop-2-ynyl)-1,3-dioxan-5-yl]acetaldehyde

Drug info:

PubChemData

Smile

C#CCOC(C#CSC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations