Geometry & MOs

Info

ID:	298312
PubChem CID:	117648288
Reduced:	FO2S2H15C19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	398.08105
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	2.56
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[(E)-2-[3-fluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl]ethenyl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations