Geometry & MOs

Info

ID:

176076

PubChem CID:

75992111

Reduced:

ClSN2O3H15C16 (1)

Stoich.:

ABC2D3E15F16 (1)

Weight, g/mol:

708.157395

ΔHf, kcal/mol:

-39.52

Dipole, Da:

3.17

IP(EA), eV:

 -8.63(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-chloro-4-[[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-fluorophenyl]sulfonyl-(1,1-dimethylpiperidin-1-ium-3-yl)azanide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(S1)CCN(C2)C(=NO)C3=CC=CC=C3Cl

DOS

IR

Vibrations