Geometry & MOs

Info

ID:

83425

PubChem CID:

49857576

Reduced:

O3N6C26H38 (1)

Stoich.:

A3B6C26D38 (1)

Weight, g/mol:

405.218488

ΔHf, kcal/mol:

-87.89

Dipole, Da:

4.58

IP(EA), eV:

 -8.46(-0.72)

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-[2,2-dideuterio-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations