Geometry & MOs

Info

ID:	389708
PubChem CID:	134994566
Reduced:	ClNSO3C9H14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	259.97318
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	2.62
IP(EA), eV:	-9.01(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-3-propylsulfinylpropane

Drug info:

PubChemData

Smile

C/C=C(\C(=O)OC)/N(CCSCl)C(=O)C

DOS

IR

Vibrations