Geometry & MOs

Info

ID:	151594
PubChem CID:	55161573
Reduced:	BSO5C11H17 (1)
Stoich.:	ABC5D11E17 (1)
Weight, g/mol:	286.043043
ΔH_f, kcal/mol:	-270.74
Dipole, Da:	6.55
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloroprop-1-ynyl)-2-(3-methylsulfonylpropoxy)benzene

Drug info:

PubChemData

Smile

B(C1=C(C=CC(=C1)C)OCCCS(=O)(=O)C)(O)O

DOS

IR

Vibrations