Geometry & MOs

Info

ID:	143364
PubChem CID:	53196997
Reduced:	OF2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	461.188546
ΔH_f, kcal/mol:	-57.65
Dipole, Da:	5.39
IP(EA), eV:	-9.56(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d][1,3]thiazol-5-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=CC3=NN=C(N3C=C2)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations