Geometry & MOs

Info

ID:

133982

PubChem CID:

51621493

Reduced:

O2S2N5C23H31 (1)

Stoich.:

A2B2C5D23E31 (1)

Weight, g/mol:

513.183461

ΔHf, kcal/mol:

-42.58

Dipole, Da:

4.91

IP(EA), eV:

 -8.51(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,5R)-2-[(1-ethylpyrazol-3-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)CC4CC(=O)N5C=CSC5N4

DOS

IR

Vibrations