Geometry & MOs

Info

ID:	298308
PubChem CID:	117648278
Reduced:	SO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	412.080301
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	2.76
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-(2-methylprop-2-enoylsulfanyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC(=O)C(=C)C)C(=O)OC2=CC=C(C=C2)SC(=O)C(=C)C

DOS

IR

Vibrations