Geometry & MOs

Info

ID:	76476
PubChem CID:	48424972
Reduced:	O2F3N4C15H23 (1)
Stoich.:	A2B3C4D15E23 (1)
Weight, g/mol:	374.148713
ΔH_f, kcal/mol:	-213.27
Dipole, Da:	2.85
IP(EA), eV:	-8.87(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations