Geometry & MOs

Info

ID:	298324
PubChem CID:	117648320
Reduced:	OSF2H7C10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	408.046557
ΔH_f, kcal/mol:	-191.36
Dipole, Da:	0.12
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations