Geometry & MOs

Info

ID:	397920
PubChem CID:	135030986
Reduced:	O2H13C15 (1)
Stoich.:	A2B13C15 (1)
Weight, g/mol:	398.083106
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764046
Charge, e:	0

Chem-info

IUPAC name:

[2-(trifluoromethylsulfonyloxy)-3-trimethylsilylphenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C([CH]C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations