Geometry & MOs

Info

ID:

322155

PubChem CID:

126668961

Reduced:

SF3N4O4H21C24 (1)

Stoich.:

AB3C4D4E21F24 (1)

Weight, g/mol:

558.090627

ΔHf, kcal/mol:

-205.24

Dipole, Da:

8.4

IP(EA), eV:

 -9.44(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C2C=C(C=CC2[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NC=C5)C(F)(F)F

DOS

IR

Vibrations