Geometry & MOs

Info

ID:	61101
PubChem CID:	26705705
Reduced:	SN3O5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	454.165248
ΔH_f, kcal/mol:	-193.1
Dipole, Da:	11.23
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations