Geometry & MOs

Info

ID:

309594

PubChem CID:

126549967

Reduced:

PO5N6C20H27 (1)

Stoich.:

AB5C6D20E27 (1)

Weight, g/mol:

606.223609

ΔHf, kcal/mol:

-177.63

Dipole, Da:

5.61

IP(EA), eV:

 -8.79(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(dihydroxymethyl)piperidin-1-yl]-N-[4-[4-methoxy-3-(trifluoromethyl)phenyl]-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)C)NP(=O)(COCCN1C=NC2=C1N=C(N=C2OC)N)OCC3=CC=CC=C3

DOS

IR

Vibrations