Geometry & MOs

Info

ID:

82125

PubChem CID:

49855652

Reduced:

O3N7C27H35 (1)

Stoich.:

A3B7C27D35 (1)

Weight, g/mol:

408.237318

ΔHf, kcal/mol:

-59.01

Dipole, Da:

6.57

IP(EA), eV:

 -8.84(-0.92)

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-dideuterio-2-[[(2S)-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)CCN4C=CN=C4C)C(=N2)N5CCOC[C@@H]5C

DOS

IR

Vibrations