Geometry & MOs

Info

ID:	221354
PubChem CID:	85267820
Reduced:	NO3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	408.214803
ΔH_f, kcal/mol:	-168.72
Dipole, Da:	7.38
IP(EA), eV:	-9.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dihydroxy-3-(methoxymethoxy)-8-phenylmethoxyoct-6-ynyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(C(=O)N=C2)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)O)O

DOS

IR

Vibrations