Geometry & MOs

Info

ID:	232054
PubChem CID:	87575309
Reduced:	OSF3N4C23H25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	252.022113
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	7.39
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxolan-2-one

Drug info:

PubChemData

Smile

CC(=CCN1C2=C(C=CC(=C2)N(C3=CC=CC=C3)C(=O)C(F)(F)F)N=C1SCCCN)C

DOS

IR

Vibrations