Geometry & MOs

Info

ID:	298336
PubChem CID:	117648372
Reduced:	FO2S2H17C24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	398.064651
ΔH_f, kcal/mol:	-12.73
Dipole, Da:	2.3
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-prop-2-enoylsulfanylphenyl) 2-methyl-4-(2-methylprop-2-enoylsulfanyl)benzoate

Drug info:

PubChemData

Smile

C=CC(=O)SC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)SC(=O)C=C)F

DOS

IR

Vibrations