Geometry & MOs

Info

ID:	66037
PubChem CID:	46488276
Reduced:	N2S2F3O6C15H19 (1)
Stoich.:	A2B2C3D6E15F19 (1)
Weight, g/mol:	409.155018
ΔH_f, kcal/mol:	-394.05
Dipole, Da:	3.5
IP(EA), eV:	-9.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C

DOS

IR

Vibrations