Geometry & MOs

Info

ID:

431895

PubChem CID:

135172016

Reduced:

SF3O3N5C25H34 (1)

Stoich.:

AB3C3D5E25F34 (1)

Weight, g/mol:

571.24401

ΔHf, kcal/mol:

-253.49

Dipole, Da:

8.34

IP(EA), eV:

 -8.92(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations