Geometry & MOs

Info

ID:	224795
PubChem CID:	85355338
Reduced:	FeO7C22H26 (1)
Stoich.:	AB7C22D26 (1)
Weight, g/mol:	461.200944
ΔH_f, kcal/mol:	2.35
Dipole, Da:	3.46
IP(EA), eV:	-7.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxycarbonylamino]ethoxy]ethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CCC=CCCCC=CC=CC=CC(=O)OCC=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations