Geometry & MOs

Info

ID:	245402
PubChem CID:	99444389
Reduced:	SO2F3N4C23H25 (1)
Stoich.:	AB2C3D4E23F25 (1)
Weight, g/mol:	424.141005
ΔH_f, kcal/mol:	-173.29
Dipole, Da:	4.24
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenoxy)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F)CC(C)C

DOS

IR

Vibrations