Geometry & MOs

Info

ID:	157190
PubChem CID:	56422376
Reduced:	SO3N5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	419.099646
ΔH_f, kcal/mol:	32.98
Dipole, Da:	9.15
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations