Geometry & MOs

Info

ID:	298325
PubChem CID:	117648323
Reduced:	O2S2F3H15C20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	358.04975
ΔH_f, kcal/mol:	-159.5
Dipole, Da:	4.25
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-fluoro-4-(4-prop-2-enoylsulfanylphenyl)phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC(=C(C=C1)C2=CC=C(C=C2)SC(=O)C=C)C(F)(F)F

DOS

IR

Vibrations