Geometry & MOs

Info

ID:	240911
PubChem CID:	93618157
Reduced:	NS2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-106.79
Dipole, Da:	6.66
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethyl)-6-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H]2CCS(=O)(=O)C2)C3=CSC=C3

DOS

IR

Vibrations