Geometry & MOs

Info

ID:	129649
PubChem CID:	51073466
Reduced:	FO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	349.126026
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	3.23
IP(EA), eV:	-9.26(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)sulfanyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations