Geometry & MOs

Info

ID:	76643
PubChem CID:	48425185
Reduced:	SO2F3N3C15H22 (1)
Stoich.:	AB2C3D3E15F22 (1)
Weight, g/mol:	411.234491
ΔH_f, kcal/mol:	-233.05
Dipole, Da:	1.68
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-oxo-4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations