Geometry & MOs

Info

ID:

82737

PubChem CID:

49856423

Reduced:

ClN2O2C13H21 (1)

Stoich.:

AB2C2D13E21 (1)

Weight, g/mol:

407.231041

ΔHf, kcal/mol:

-107.96

Dipole, Da:

2.79

IP(EA), eV:

 -9.44(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-amino-5-deuterio-1,3-thiazol-4-yl)-N-[2,3,5,6-tetradeuterio-4-[1,1,2,2-tetradeuterio-2-[[(2S)-1,1-dideuterio-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=NC(C)C)O1)C(C)C)CCCl

DOS

IR

Vibrations