Geometry & MOs

Info

ID:	298306
PubChem CID:	117648270
Reduced:	F2O2S2H14C19 (1)
Stoich.:	A2B2C2D14E19 (1)
Weight, g/mol:	398.08105
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	2.4
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations