Geometry & MOs

Info

ID:	76446
PubChem CID:	48424935
Reduced:	SN2O2F3C16H23 (1)
Stoich.:	AB2C2D3E16F23 (1)
Weight, g/mol:	370.190184
ΔH_f, kcal/mol:	-230.67
Dipole, Da:	5.98
IP(EA), eV:	-8.94(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutylsulfanyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations