Geometry & MOs

Info

ID:	352386
PubChem CID:	127283473
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	396.142011
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	3.6
IP(EA), eV:	-9.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCCCC2C3=NC=CS3

DOS

IR

Vibrations