Geometry & MOs

Info

ID:	280175
PubChem CID:	103847351
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	243.048463
ΔH_f, kcal/mol:	-115.22
Dipole, Da:	3.6
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine

Drug info:

PubChemData

Smile

CC1C(CCO1)SCC2=C(C=CC(=C2)C(=O)C)OC

DOS

IR

Vibrations