Geometry & MOs

Info

ID:	50355
PubChem CID:	12012877
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	10.09
IP(EA), eV:	-9.78(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-[(4R,5R)-4,5-dimethyloxolan-2-ylidene]acetate

Drug info:

PubChemData

Smile

C[C@H]1CC/C(=C/S(=O)(=O)C2=CC=CC=C2)/O1

DOS

IR

Vibrations