Geometry & MOs

Info

ID:

322135

PubChem CID:

126668826

Reduced:

SF3N4O5H19C23 (1)

Stoich.:

AB3C4D5E19F23 (1)

Weight, g/mol:

597.170926

ΔHf, kcal/mol:

-268.49

Dipole, Da:

8.53

IP(EA), eV:

 -9.28(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[2-(5-fluoro-6-methylpyridin-2-yl)-4-(trifluoromethyl)phenyl]-4-methyl-N-[6-[(E)-prop-1-enyl]pyridin-2-yl]-2,3-dihydrochromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1C3=C(C=C(C=C3)C(F)(F)F)N4CCOC4=O)C=CC(=C2)S(=O)(=O)NC5=NC=CC=N5

DOS

IR

Vibrations