Geometry & MOs

Info

ID:	133854
PubChem CID:	51601358
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	402.029301
ΔH_f, kcal/mol:	13.78
Dipole, Da:	5.05
IP(EA), eV:	-10.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-5-[[(Z)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoate

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H](O2)C3=C(C1)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations