Geometry & MOs

Info

ID:

134314

PubChem CID:

51679352

Reduced:

NO8C27H33 (1)

Stoich.:

AB8C27D33 (1)

Weight, g/mol:

524.172956

ΔHf, kcal/mol:

-305.32

Dipole, Da:

6.07

IP(EA), eV:

 -9.08(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H]([C@@H]2[C@@H](CO[C@@H](O2)C3=CC=CC=C3)O[C@@H]1OC4=CC=C(C=C4)C(C)(C)C)OCC(=O)O

DOS

IR

Vibrations