Geometry & MOs

Info

ID:	76494
PubChem CID:	48424999
Reduced:	SN2O2F3C19H27 (1)
Stoich.:	AB2C2D3E19F27 (1)
Weight, g/mol:	341.156241
ΔH_f, kcal/mol:	-238.2
Dipole, Da:	5.21
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations