Geometry & MOs

Info

ID:	219699
PubChem CID:	85164585
Reduced:	SF3O4H9C10 (2)
Stoich.:	AB3C4D9E10 (2)
Weight, g/mol:	414.074879
ΔH_f, kcal/mol:	-576.8
Dipole, Da:	4.99
IP(EA), eV:	-9.85(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,4-diphenyl-4-(trifluoromethylsulfonyloxy)but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=[OH+])C=CC(C1=CC=CC=C1)(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations