Geometry & MOs

Info

ID:	221870
PubChem CID:	85291479
Reduced:	NSSi2C12H27 (1)
Stoich.:	ABC2D12E27 (1)
Weight, g/mol:	274.081679
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	0.57
IP(EA), eV:	-7.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzylidene-4,4,4-trifluoro-3-hydroxybutanoate

Drug info:

PubChemData

Smile

C[Si](C)(C)N([Si](C)(C)C)SC=CCCC=C

DOS

IR

Vibrations