Geometry & MOs

Info

ID:	390017
PubChem CID:	134996594
Reduced:	OS2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	4.49
IP(EA), eV:	-8.72(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-(4-acetylphenyl)-3-methoxyprop-2-enoate

Drug info:

PubChemData

Smile

C1CC(=O)[C@@]2(CCCS2)C3(C1)CCCS3

DOS

IR

Vibrations