Geometry & MOs

Info

ID:	64414
PubChem CID:	29200212
Reduced:	FN2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	497.89975
ΔH_f, kcal/mol:	-137.48
Dipole, Da:	5.06
IP(EA), eV:	-9.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations