Geometry & MOs

Info

ID:	318551
PubChem CID:	126651862
Reduced:	ON3F6C27H27 (1)
Stoich.:	AB3C6D27E27 (1)
Weight, g/mol:	549.154527
ΔH_f, kcal/mol:	-294.76
Dipole, Da:	5.07
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-2-[4-[4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC=NC=C4)C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations