Geometry & MOs

Info

ID:

193644

PubChem CID:

78418161

Reduced:

N2O5C24H34 (1)

Stoich.:

A2B5C24D34 (1)

Weight, g/mol:

542.219906

ΔHf, kcal/mol:

-205.29

Dipole, Da:

3.96

IP(EA), eV:

 -9.51(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-(4-ethylphenyl)-3,5-dioxo-6-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]tridec-1(9)-ene-11-carboxylate

Drug info:

PubChemData

Smile

CC(CC=C)C(=O)OC(C1=CC=CC=C1)C(C)NC(=O)C(CC=C)C(=O)NC(C)CO

DOS

IR

Vibrations