Geometry & MOs

Info

ID:	78696
PubChem CID:	49703762
Reduced:	FSN4O5H19C21 (1)
Stoich.:	ABC4D5E19F21 (1)
Weight, g/mol:	465.181232
ΔH_f, kcal/mol:	-174.32
Dipole, Da:	7.02
IP(EA), eV:	-9.54(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[2-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations