Geometry & MOs

Info

ID:	332546
PubChem CID:	127250832
Reduced:	ClSO3N4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	443.136032
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	4.6
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations