Geometry & MOs

Info

ID:	57760
PubChem CID:	24277074
Reduced:	SCl2N2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	267.120547
ΔH_f, kcal/mol:	9.63
Dipole, Da:	4.95
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)piperazin-1-yl]propanethioamide

Drug info:

PubChemData

Smile

CCN(CC)C(C1=C(C=CC=C1Cl)Cl)C(=S)N

DOS

IR

Vibrations