Geometry & MOs

Info

ID:	327310
PubChem CID:	126689489
Reduced:	S2O8C13H24 (1)
Stoich.:	A2B8C13D24 (1)
Weight, g/mol:	449.165428
ΔH_f, kcal/mol:	-376.05
Dipole, Da:	5.79
IP(EA), eV:	-10.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(3-azidopropyl)-5-[(3-methoxy-3-oxopropyl)sulfanylmethyl]-2-methyl-1,3-dioxan-5-yl]methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

C1CCC2(CC1)OCC(CO2)(CCS(=O)(=O)O)CCS(=O)(=O)O

DOS

IR

Vibrations