Geometry & MOs

Info

ID:	386562
PubChem CID:	134982164
Reduced:	SSi2O7C27H50 (1)
Stoich.:	AB2C7D27E50 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-425.31
Dipole, Da:	7.19
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,2,3,4,5-pentamethyl-6-oxocyclohexa-2,4-dien-1-yl) acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](CC([C@@H]1O[Si](C)(C)C(C)(C)C)(CS(=O)(=O)C2=CC=CC=C2)O)C(OC)OC

DOS

IR

Vibrations