Geometry & MOs

Info

ID:

296915

PubChem CID:

117600511

Reduced:

S2N4F5O7C34H35 (1)

Stoich.:

A2B4C5D7E34F35 (1)

Weight, g/mol:

396.006148

ΔHf, kcal/mol:

-427.51

Dipole, Da:

9.43

IP(EA), eV:

 -8.69(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(5-methyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethylsulfonyloxy)pyridin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)COC2=CC(=C(C=C2F)S(=O)(=O)N(CC3=C(C=C(C=C3)OC)OC)C4=NC=NS4)F)C5=CC(=C(C=C5F)F)F

DOS

IR

Vibrations