Geometry & MOs

Info

ID:	298340
PubChem CID:	117648391
Reduced:	FS2O4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	424.080301
ΔH_f, kcal/mol:	-117.37
Dipole, Da:	1.71
IP(EA), eV:	-9.01(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-prop-2-enoylsulfanylphenyl) (E)-2-methyl-3-(4-prop-2-enoylsulfanylphenyl)but-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations