Geometry & MOs

Info

ID:	328803
PubChem CID:	126727971
Reduced:	SN2F3O5H33C34 (1)
Stoich.:	AB2C3D5E33F34 (1)
Weight, g/mol:	182.09185
ΔH_f, kcal/mol:	-298.71
Dipole, Da:	5.99
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol

Drug info:

PubChemData

Smile

C/C=C\1/CCOC2=C1C(=C(C=C2)C3=C(C(=CC4=C3SC(=O)N4CC5=CC=CC=C5C(F)(F)F)C)[C@@H](C(=O)O)OC(C)(C)C)N=C

DOS

IR

Vibrations