Geometry & MOs

Info

ID:	60954
PubChem CID:	26703566
Reduced:	FSN2O5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	445.093012
ΔH_f, kcal/mol:	-210.56
Dipole, Da:	6.25
IP(EA), eV:	-8.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)OC

DOS

IR

Vibrations