Geometry & MOs

Info

ID:

425081

PubChem CID:

135125103

Reduced:

NO6C32H33 (1)

Stoich.:

AB6C32D33 (1)

Weight, g/mol:

563.177787

ΔHf, kcal/mol:

-139.77

Dipole, Da:

4.33

IP(EA), eV:

 -8.79(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[4-[[(1R)-4-[6-(1,1-dioxothian-4-yl)oxypyridin-3-yl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

CC#C[C@@H](CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C2C=CC(=C3C4=CN=C(C=C4)O[C@@H]5CCOC5)OC

DOS

IR

Vibrations