Geometry & MOs

Info

ID:	142958
PubChem CID:	53123211
Reduced:	FSO2N5C21H26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	467.159138
ΔH_f, kcal/mol:	-50.83
Dipole, Da:	7.07
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1SC(=N2)N3CCCC(C3)C(=O)NCCCOC)C4=CC=C(C=C4)F

DOS

IR

Vibrations