Geometry & MOs

Info

ID:	425700
PubChem CID:	135127478
Reduced:	FCl3N3O6C31H31 (1)
Stoich.:	AB3C3D6E31F31 (1)
Weight, g/mol:	146.05655
ΔH_f, kcal/mol:	-273.02
Dipole, Da:	7.27
IP(EA), eV:	-9.63(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-fluoro-5-methylhex-3-ene-2-thione

Drug info:

PubChemData

Smile

CC(C)[C@@H](/C(=C/[C@@H](CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)N3C(COC3=O)CC4=CC=CC=C4)/F)NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations