Geometry & MOs

Info

ID:	298333
PubChem CID:	117648364
Reduced:	OSH9C11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	378.074822
ΔH_f, kcal/mol:	44.84
Dipole, Da:	0.68
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations