Geometry & MOs

Info

ID:	233035
PubChem CID:	87691603
Reduced:	SO5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	423.088529
ΔH_f, kcal/mol:	-239.19
Dipole, Da:	6.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754373
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-(dichloroamino)-2-methylpropyl]sulfonylethoxy]ethoxy]ethoxy]ethyl acetate

Drug info:

PubChemData

Smile

C[S+](C)C(C1CCCO1)(C(CO)O)C(=O)O

DOS

IR

Vibrations