Geometry & MOs

Info

ID:	344762
PubChem CID:	127268350
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	399.162806
ΔH_f, kcal/mol:	-87.55
Dipole, Da:	4.33
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=NC=C2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations