Geometry & MOs

Info

ID:	355847
PubChem CID:	127290699
Reduced:	FSN2O4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	382.136257
ΔH_f, kcal/mol:	-213.18
Dipole, Da:	4.23
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)CSCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations