Geometry & MOs

Info

ID:	298334
PubChem CID:	117648365
Reduced:	OSH9C11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	382.04975
ΔH_f, kcal/mol:	44.42
Dipole, Da:	1.01
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC(=O)C=C)C#CC2=CC=C(C=C2)SC(=O)C(=C)C

DOS

IR

Vibrations