Geometry & MOs

Info

ID:	76467
PubChem CID:	48424960
Reduced:	N2F3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	388.164363
ΔH_f, kcal/mol:	-296.06
Dipole, Da:	4.88
IP(EA), eV:	-8.76(-0.14)
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]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations