Geometry & MOs

Info

ID:

322064

PubChem CID:

126668470

Reduced:

ISO3F4N4H17C25 (1)

Stoich.:

ABC3D4E4F17G25 (1)

Weight, g/mol:

504.119144

ΔHf, kcal/mol:

-178.4

Dipole, Da:

4.6

IP(EA), eV:

 -9.52(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-N-(1,2-dihydropyridazin-3-yl)-4-[2-(triazol-1-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1C3=C(C=C(C=C3)C(F)(F)F)C4=CN=C(C=C4)I)C=CC(=C2)S(=O)(=O)NC5=NC=C(C=N5)F

DOS

IR

Vibrations