Geometry & MOs

Info

ID:	166407
PubChem CID:	74685154
Reduced:	SN2O6C27H28 (1)
Stoich.:	AB2C6D27E28 (1)
Weight, g/mol:	447.179421
ΔH_f, kcal/mol:	-162.64
Dipole, Da:	4.05
IP(EA), eV:	-8.96(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyphenyl)-7-(2-methoxyethyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)N2C(C3=C(C2=O)OC4CCCCC4C3=O)C5=CC(=CC=C5)OCC=C)C

DOS

IR

Vibrations