Geometry & MOs

Info

ID:	327749
PubChem CID:	126690963
Reduced:	N3O3F6C20H21 (1)
Stoich.:	A3B3C6D20E21 (1)
Weight, g/mol:	369.94598
ΔH_f, kcal/mol:	-365.51
Dipole, Da:	7.69
IP(EA), eV:	-9.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2,2-trifluoro-1-iodoethyl) 4-sulfanylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NO2)CN3CCN(CC3)C(=O)CC(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations