Geometry & MOs

Info

ID:	157294
PubChem CID:	56422762
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	2.77
Dipole, Da:	3.4
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations