Geometry & MOs

Info

ID:	397152
PubChem CID:	135029812
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	-10.96
Dipole, Da:	3.0
IP(EA), eV:	-9.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-2-[(E)-5-(2,4,6-trimethylphenyl)pent-3-en-1-ynyl]-1,3-dioxolane

Drug info:

PubChemData

Smile

CCOC(=O)C#C/C=C/CC1=CC=CS1

DOS

IR

Vibrations