Geometry & MOs

Info

ID:	157281
PubChem CID:	56422498
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	3.64
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations