Geometry & MOs

Info

ID:	350542
PubChem CID:	127277904
Reduced:	SN3O5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	385.147156
ΔH_f, kcal/mol:	-192.45
Dipole, Da:	7.52
IP(EA), eV:	-8.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3CCOCC3

DOS

IR

Vibrations