Geometry & MOs

Info

ID:	356921
PubChem CID:	127292529
Reduced:	SO2N3C20H33 (1)
Stoich.:	AB2C3D20E33 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	-107.6
Dipole, Da:	3.56
IP(EA), eV:	-9.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(C)(C)C)NC(=O)N2CCC(CC2)OC3CCCC3

DOS

IR

Vibrations