Geometry & MOs

Info

ID:	389973
PubChem CID:	134996316
Reduced:	SO2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	280.128629
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	1.61
IP(EA), eV:	-8.43(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethoxy)hepta-4,6-dien-3-one

Drug info:

PubChemData

Smile

CC1=C(S[C@H]([C@@H]1C(=O)OC)CCC(=C)C)C

DOS

IR

Vibrations