Geometry & MOs

Info

ID:	76536
PubChem CID:	48425053
Reduced:	SN2F3O4C17H29 (1)
Stoich.:	AB2C3D4E17F29 (1)
Weight, g/mol:	414.02245
ΔH_f, kcal/mol:	-350.1
Dipole, Da:	4.32
IP(EA), eV:	-9.04(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)CCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations