Geometry & MOs

Info

ID:	59832
PubChem CID:	24898975
Reduced:	ClSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	459.08408
ΔH_f, kcal/mol:	-44.01
Dipole, Da:	4.58
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2,5-dimethyl-7-pentan-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CCC(CC)C1=CC(=NC2=C(C(=NN12)C)C3=C(C=C(S3)C(=O)OCC)Cl)C

DOS

IR

Vibrations