Geometry & MOs

Info

ID:	435207
PubChem CID:	135184679
Reduced:	SO3F4N4H18C24 (1)
Stoich.:	AB3C4D4E18F24 (1)
Weight, g/mol:	530.103574
ΔH_f, kcal/mol:	-197.97
Dipole, Da:	5.47
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-fluoropyridin-2-yl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C(C1C3=C(C=C(C=C3)C(F)(F)F)N4C=CC=N4)C=CC(=C2)S(=O)(=O)NC5=NC(=CC=C5)F

DOS

IR

Vibrations