Geometry & MOs

Info

ID:	298288
PubChem CID:	117648230
Reduced:	OSF2H7C10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	340.059172
ΔH_f, kcal/mol:	-195.84
Dipole, Da:	4.2
IP(EA), eV:	-9.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations