Geometry & MOs

Info

ID:	329408
PubChem CID:	126736374
Reduced:	NO5H6C12 (2)
Stoich.:	AB5C6D12 (2)
Weight, g/mol:	409.173667
ΔH_f, kcal/mol:	-193.5
Dipole, Da:	7.29
IP(EA), eV:	-9.35(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxyacetyl]oxybutanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N=NC3=CC=C(O3)OC4=CC5=C(C=C4)OC(=CC5=O)C(=O)O)C(=O)C=C(O2)C(=O)O

DOS

IR

Vibrations