Geometry & MOs

Info

ID:

322068

PubChem CID:

126668481

Reduced:

SF3N4O4H21C24 (1)

Stoich.:

AB3C4D4E21F24 (1)

Weight, g/mol:

513.114554

ΔHf, kcal/mol:

-238.39

Dipole, Da:

8.8

IP(EA), eV:

 -9.48(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[2-(2-fluoroethyl)-4-(trifluoromethyl)phenyl]-N-(5-fluoropyrimidin-2-yl)-4-methyl-2,3-dihydrochromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)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