Geometry & MOs

Info

ID:	78667
PubChem CID:	49703673
Reduced:	FSO2N4H15C20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	385.099333
ΔH_f, kcal/mol:	-10.42
Dipole, Da:	3.99
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations