Geometry & MOs

Info

ID:

82445

PubChem CID:

49856040

Reduced:

ON2C8H10 (3)

Stoich.:

AB2C8D10 (3)

Weight, g/mol:

409.243595

ΔHf, kcal/mol:

-57.9

Dipole, Da:

8.32

IP(EA), eV:

 -8.83(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-amino-5-deuterio-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[1,1-dideuterio-2-[[(2R)-1,1,2-trideuterio-2-hydroxy-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]amino]ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CO[C@@]3(C)CCC#N)C(=N2)N4CCOC[C@@H]4C

DOS

IR

Vibrations