Geometry & MOs

Info

ID:

54267

PubChem CID:

16957269

Reduced:

SN3O4H21C22 (1)

Stoich.:

AB3C4D21E22 (1)

Weight, g/mol:

451.167811

ΔHf, kcal/mol:

-63.85

Dipole, Da:

3.88

IP(EA), eV:

 -8.09(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=O)/C(=C\C3=COC=C3)/SC2=N1)C4=CC=C(C=C4)N(C)C)C(=O)OC

DOS

IR

Vibrations