Geometry & MOs

Info

ID:	403642
PubChem CID:	135061090
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	434.231093
ΔH_f, kcal/mol:	-179.23
Dipole, Da:	4.87
IP(EA), eV:	-10.13(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-8-tri(propan-2-yl)silyloct-4-en-7-ynyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)C1(CCC(=O)C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations