Geometry & MOs

Info

ID:	407732
PubChem CID:	135080487
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	254.06128
ΔH_f, kcal/mol:	-60.76
Dipole, Da:	4.63
IP(EA), eV:	-10.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-1,1-dioxo-3-phenylthiolane-2-carboxylate

Drug info:

PubChemData

Smile

CCC#CCCOC(=O)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations