Geometry & MOs

Info

ID:	142957
PubChem CID:	53123010
Reduced:	SO3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	431.179124
ΔH_f, kcal/mol:	-0.73
Dipole, Da:	4.67
IP(EA), eV:	-8.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluorophenyl)-3-methylpyrazolo[3,4-d][1,3]thiazol-5-yl]-N-(3-methoxypropyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1SC(=N2)N3CCCC(C3)C(=O)NCC4=CC=CO4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations