Geometry & MOs

Info

ID:	43771
PubChem CID:	10321764
Reduced:	ClSN2O5C21H27 (1)
Stoich.:	ABC2D5E21F27 (1)
Weight, g/mol:	454.204801
ΔH_f, kcal/mol:	-187.85
Dipole, Da:	5.56
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chloro-2-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)O

DOS

IR

Vibrations