Geometry & MOs

Info

ID:	76728
PubChem CID:	48425293
Reduced:	N2O2S2F3C17H29 (1)
Stoich.:	A2B2C2D3E17F29 (1)
Weight, g/mol:	367.208276
ΔH_f, kcal/mol:	-271.72
Dipole, Da:	8.97
IP(EA), eV:	-7.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

C1CSSC1CCCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations