Geometry & MOs

Info

ID:	322146
PubChem CID:	126668879
Reduced:	SF3O3N5H20C24 (1)
Stoich.:	AB3C3D5E20F24 (1)
Weight, g/mol:	500.112996
ΔH_f, kcal/mol:	-150.57
Dipole, Da:	4.86
IP(EA), eV:	-9.67(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methyl-1,3-oxazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-3,4-dihydro-2H-chromene-7-sulfinamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(C=CC(=C2)C(F)(F)F)[C@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NC=C5

DOS

IR

Vibrations