Geometry & MOs

Info

ID:	141991
PubChem CID:	52963274
Reduced:	ON2H3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	513.213795
ΔH_f, kcal/mol:	96.65
Dipole, Da:	4.25
IP(EA), eV:	-8.06(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-6-[(E)-3-phenylprop-2-enoyl]imino-7,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,8,10,12-pentaene-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=C(N2)N=O)N=O

DOS

IR

Vibrations