Geometry & MOs

Info

ID:

81999

PubChem CID:

49855460

Reduced:

O3N6C25H28 (1)

Stoich.:

A3B6C25D28 (1)

Weight, g/mol:

409.243595

ΔHf, kcal/mol:

-37.52

Dipole, Da:

3.2

IP(EA), eV:

 -8.73(-0.7)

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-[2,3,5,6-tetradeuterio-4-[2-[[(2R)-2-deuterio-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(COC(C3)C4=CC=CC=N4)C(=N2)N5CCOCC5

DOS

IR

Vibrations