Geometry & MOs

Info

ID:	322065
PubChem CID:	126668471
Reduced:	SF3O3N6H19C22 (1)
Stoich.:	AB3C3D6E19F22 (1)
Weight, g/mol:	259.077933
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	4.72
IP(EA), eV:	-8.39(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)pyridazin-3-amine

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)N4C=CN=N4)C=CC(=C2)S(=O)(=O)NC5=CC=CNN5

DOS

IR

Vibrations