Geometry & MOs

Info

ID:	151000
PubChem CID:	53790697
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	262.069737
ΔH_f, kcal/mol:	-91.62
Dipole, Da:	3.37
IP(EA), eV:	-8.27(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (5R)-5-(acetylsulfanylmethyl)thiolane-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC2=C(CC1)C=C(C=C2)OC3CCCC3)O

DOS

IR

Vibrations