Geometry & MOs

Info

ID:

133983

PubChem CID:

51622017

Reduced:

SO3N5H27C28 (1)

Stoich.:

AB3C5D27E28 (1)

Weight, g/mol:

513.183461

ΔHf, kcal/mol:

1.3

Dipole, Da:

7.29

IP(EA), eV:

 -8.54(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,5S)-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

CCN1C=CC(=N1)/C=C/2\C(=O)N3[C@@H](C(=C(N=C3S2)C)C(=O)NC4=CC=CC=C4C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations