Geometry & MOs

Info

ID:	434496
PubChem CID:	135175043
Reduced:	P2S2O9N10C21H28 (1)
Stoich.:	A2B2C9D10E21F28 (1)
Weight, g/mol:	482.04714
ΔH_f, kcal/mol:	-405.8
Dipole, Da:	8.91
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-[2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

C[C@]1(CCC(O1)N2C=NC3=C(N=CN=C32)N)COP(=O)(O[C@@H]4CC(OC4N5C=NC6=C5NC(=NC6=O)N)COP(=S)(O)O)S

DOS

IR

Vibrations