Geometry & MOs

Info

ID:	157271
PubChem CID:	56422486
Reduced:	BrN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	492.02945
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	5.92
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-iodoanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations