Geometry & MOs

Info

ID:	160432
PubChem CID:	57309780
Reduced:	SO2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	422.06219
ΔH_f, kcal/mol:	-174.68
Dipole, Da:	1.43
IP(EA), eV:	-8.87(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-iodobut-3-yn-2-yl)-3-nonyl-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CCSCCOC(=O)C=CC(=O)OCCSCC

DOS

IR

Vibrations