Geometry & MOs

Info

ID:	66029
PubChem CID:	46488169
Reduced:	N2F3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	498.008695
ΔH_f, kcal/mol:	-234.33
Dipole, Da:	7.45
IP(EA), eV:	-8.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)CC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations