Geometry & MOs

Info

ID:	298281
PubChem CID:	117648221
Reduced:	FO2N7C26H34 (1)
Stoich.:	AB2C7D26E34 (1)
Weight, g/mol:	372.0654
ΔH_f, kcal/mol:	-63.37
Dipole, Da:	3.87
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC3=C(C=C2)C=NN3C)C#N)F

DOS

IR

Vibrations