Geometry & MOs

Info

ID:	76468
PubChem CID:	48424961
Reduced:	SN2F3O4C15H27 (1)
Stoich.:	AB2C3D4E15F27 (1)
Weight, g/mol:	378.158884
ΔH_f, kcal/mol:	-348.81
Dipole, Da:	5.46
IP(EA), eV:	-8.95(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-ylthiophen-2-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C(C)C(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations