Geometry & MOs

Info

ID:

425079

PubChem CID:

135125092

Reduced:

FN5O5C11H14 (1)

Stoich.:

AB5C5D11E14 (1)

Weight, g/mol:

529.226451

ΔHf, kcal/mol:

-189.88

Dipole, Da:

3.16

IP(EA), eV:

 -10.3(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@](O2)(CCN=[N+]=[N-])CO)O)F

DOS

IR

Vibrations