Geometry & MOs

Info

ID:	298297
PubChem CID:	117648260
Reduced:	O2S2F3H15C20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	362.024678
ΔH_f, kcal/mol:	-148.42
Dipole, Da:	3.61
IP(EA), eV:	-9.29(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=C(C=C(C=C1)C2=C(C=C(C=C2F)SC(=O)C(=C)C)F)F

DOS

IR

Vibrations