Geometry & MOs

Info

ID:	449520
PubChem CID:	135299249
Reduced:	SO7C14H22 (1)
Stoich.:	AB7C14D22 (1)
Weight, g/mol:	546.170573
ΔH_f, kcal/mol:	-334.96
Dipole, Da:	4.08
IP(EA), eV:	-9.44(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethyl (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

CC(=O)SCCCCCC(=O)OCCOC(=O)CCC(=O)O

DOS

IR

Vibrations