Geometry & MOs

Info

ID:	298316
PubChem CID:	117648308
Reduced:	S2F3O4H17C22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	398.064651
ΔH_f, kcal/mol:	-235.05
Dipole, Da:	5.53
IP(EA), eV:	-9.22(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylprop-2-enoylsulfanyl)phenyl] 3-methyl-4-prop-2-enoylsulfanylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations