Geometry & MOs

Info

ID:	307339
PubChem CID:	125299621
Reduced:	ClN2O3H9C15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	449.158685
ΔH_f, kcal/mol:	49.71
Dipole, Da:	3.76
IP(EA), eV:	-9.86(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,11S,12R,16S)-14-(2,5-dimethoxyphenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

C1C(=C2C=CC(=CC2=N1)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations