Geometry & MOs

Info

ID:	201293
PubChem CID:	79519761
Reduced:	FSN2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	267.047776
ΔH_f, kcal/mol:	-47.8
Dipole, Da:	4.6
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dioxopiperazin-1-yl)-6-fluorobenzenecarbothioamide

Drug info:

PubChemData

Smile

CC1CCC(CC1C)NC2=C(C(=CC=C2)F)C(=S)N

DOS

IR

Vibrations