Geometry & MOs

Info

ID:	39636
PubChem CID:	8141715
Reduced:	FSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	414.11619
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	4.78
IP(EA), eV:	-9.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations