Geometry & MOs

Info

ID:	81883
PubChem CID:	49855301
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	310.28718
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	1.44
IP(EA), eV:	-9.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,2R)-2-(12-methyltridecyl)cyclopropyl]propanoic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](S2)[C@@H]([C@H](O1)OCC3=CC=CC=C3)O

DOS

IR

Vibrations