Geometry & MOs

Info

ID:	142959
PubChem CID:	53123226
Reduced:	OSF2N5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	477.19986
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	5.24
IP(EA), eV:	-8.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)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)NCC4=CC(=CC=C4)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations