Geometry & MOs

Info

ID:

128207

PubChem CID:

51035438

Reduced:

SF6N6O6C29H30 (1)

Stoich.:

AB6C6D6E29F30 (1)

Weight, g/mol:

527.18076

ΔHf, kcal/mol:

-480.64

Dipole, Da:

8.66

IP(EA), eV:

 -8.95(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=NN=C(C=C1)N2CCN([C@H](C2)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations