Geometry & MOs

Info

ID:	166640
PubChem CID:	74719691
Reduced:	NCl2O3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	491.173073
ΔH_f, kcal/mol:	-41.9
Dipole, Da:	1.62
IP(EA), eV:	-9.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 6-[(2-fluorobenzoyl)amino]-2-oxo-7-(oxolan-2-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)COC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations