Geometry & MOs

Info

ID:	121997
PubChem CID:	50789224
Reduced:	FSO2N4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	437.161853
ΔH_f, kcal/mol:	-22.46
Dipole, Da:	6.53
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-methylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations