Geometry & MOs

Info

ID:

49799

PubChem CID:

11533842

Reduced:

FN4O4C30H31 (1)

Stoich.:

AB4C4D30E31 (1)

Weight, g/mol:

530.150506

ΔHf, kcal/mol:

-80.04

Dipole, Da:

7.79

IP(EA), eV:

 -8.6(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN2[C@H]([C@@]1(CCCN3CCN(CC3)C(=O)C4=CC=CO4)C5=CC=CC=C5)COC6=C2C=C(C=C6)F

DOS

IR

Vibrations