Geometry & MOs

Info

ID:

134315

PubChem CID:

51679803

Reduced:

SN4O6C26H28 (1)

Stoich.:

AB4C6D26E28 (1)

Weight, g/mol:

523.165131

ΔHf, kcal/mol:

-161.13

Dipole, Da:

15.13

IP(EA), eV:

 -9.04(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(2S)-2-[[2-[(5R)-2-[(3S)-5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=C(C=C3)OC)C4=NC(=O)[C@@H](S4)CC(=O)N[C@@H](C)C(=O)O

DOS

IR

Vibrations