Geometry & MOs

Info

ID:	29218
PubChem CID:	832384
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	240.04563
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	3.32
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(4-methylphenyl)sulfonylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(C(=S)N1)C2CCCCC2

DOS

IR

Vibrations