Geometry & MOs

Info

ID:

80859

PubChem CID:

49846686

Reduced:

SO2F3N3C11H11 (2)

Stoich.:

AB2C3D3E11F11 (2)

Weight, g/mol:

573.073929

ΔHf, kcal/mol:

-382.67

Dipole, Da:

7.3

IP(EA), eV:

 -9.32(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[5-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]-1-(1H-1,2,4-triazol-5-yl)ethanol

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=C(S2)C(C(=O)N)(C(F)(F)F)O)C3=C(C=C(C=C3)C4=NNC(=N4)C)C(F)(F)F

DOS

IR

Vibrations