Geometry & MOs

Info

ID:

431896

PubChem CID:

135172017

Reduced:

SF3O4N5C26H36 (1)

Stoich.:

AB3C4D5E26F36 (1)

Weight, g/mol:

571.24401

ΔHf, kcal/mol:

-287.53

Dipole, Da:

5.62

IP(EA), eV:

 -8.96(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 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

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

DOS

IR

Vibrations