Geometry & MOs

Info

ID:	242249
PubChem CID:	96099266
Reduced:	SCl2O2N3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	3.64
Dipole, Da:	4.72
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)[C@@H]2CCCN2C(=O)C3=C(SC(=C3)Cl)Cl

DOS

IR

Vibrations