Geometry & MOs

Info

ID:	61106
PubChem CID:	26705736
Reduced:	SN3O6C20H27 (1)
Stoich.:	AB3C6D20E27 (1)
Weight, g/mol:	438.170333
ΔH_f, kcal/mol:	-250.69
Dipole, Da:	8.99
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCN3C(=O)CCC3=O

DOS

IR

Vibrations