Geometry & MOs

Info

ID:	142956
PubChem CID:	53121885
Reduced:	ClN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	6.52
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC(=NO2)C3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations