Geometry & MOs

Info

ID:	348997
PubChem CID:	127274723
Reduced:	SN3O4C15H25 (1)
Stoich.:	AB3C4D15E25 (1)
Weight, g/mol:	395.167891
ΔH_f, kcal/mol:	-184.06
Dipole, Da:	7.21
IP(EA), eV:	-9.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NCCC(=O)N2CCOCC2

DOS

IR

Vibrations