Geometry & MOs

Info

ID:	123425
PubChem CID:	50846717
Reduced:	FN2O3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	436.021988
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	7.65
IP(EA), eV:	-9.16(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-amino-2-oxoethyl)sulfanyl-5-chloro-6-oxopyridazin-1-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CC=C(C=C2)F)COC3=CC=CC(=C3)C(=O)NC4CC4

DOS

IR

Vibrations