Geometry & MOs

Info

ID:

431662

PubChem CID:

135171758

Reduced:

SF3O4N5C25H34 (1)

Stoich.:

AB3C4D5E25F34 (1)

Weight, g/mol:

557.22836

ΔHf, kcal/mol:

-286.22

Dipole, Da:

4.8

IP(EA), eV:

 -9.23(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[4-[[1-(2-methoxyacetyl)piperidin-4-yl]-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)COC)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations