Geometry & MOs

Info

ID:	76534
PubChem CID:	48425051
Reduced:	N2O2F5C18H23 (1)
Stoich.:	A2B2C5D18E23 (1)
Weight, g/mol:	388.164363
ΔH_f, kcal/mol:	-329.78
Dipole, Da:	5.25
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCC2=C(C=CC=C2F)F

DOS

IR

Vibrations