Geometry & MOs

Info

ID:	318548
PubChem CID:	126651852
Reduced:	NS2F3O3H12C13 (1)
Stoich.:	AB2C3D3E12F13 (1)
Weight, g/mol:	436.197377
ΔH_f, kcal/mol:	-235.23
Dipole, Da:	2.47
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CS2)(C(F)(F)F)O

DOS

IR

Vibrations