Geometry & MOs

Info

ID:

318336

PubChem CID:

126650541

Reduced:

SO3F4N4H20C25 (1)

Stoich.:

AB3C4D4E20F25 (1)

Weight, g/mol:

544.119224

ΔHf, kcal/mol:

-208.51

Dipole, Da:

6.75

IP(EA), eV:

 -9.46(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

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=CC(=C5)F

DOS

IR

Vibrations