Geometry & MOs

Info

ID:	140447
PubChem CID:	52698838
Reduced:	SF3N3O3H20C22 (1)
Stoich.:	AB3C3D3E20F22 (1)
Weight, g/mol:	442.131091
ΔH_f, kcal/mol:	-210.8
Dipole, Da:	2.7
IP(EA), eV:	-8.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-N-(6-phenylmethoxypyridin-3-yl)-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)C(=O)NCC(F)(F)F

DOS

IR

Vibrations