Geometry & MOs

Info

ID:

82288

PubChem CID:

49855852

Reduced:

O3N5C23H29 (1)

Stoich.:

A3B5C23D29 (1)

Weight, g/mol:

407.231041

ΔHf, kcal/mol:

-60.17

Dipole, Da:

4.13

IP(EA), eV:

 -8.75(-0.8)

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)-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(CO[C@]3(C)CC=C)C(=N2)N4CCOCC4

DOS

IR

Vibrations