Geometry & MOs

Info

ID:

431894

PubChem CID:

135172015

Reduced:

SF3O3N5C25H34 (1)

Stoich.:

AB3C3D5E25F34 (1)

Weight, g/mol:

541.233446

ΔHf, kcal/mol:

-248.46

Dipole, Da:

7.48

IP(EA), eV:

 -9.03(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)C)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations