Geometry & MOs

Info

ID:	157282
PubChem CID:	56422499
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-145.03
Dipole, Da:	7.35
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(prop-2-ynylamino)ethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CCS(=O)(=O)C2)C)C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations