Geometry & MOs

Info

ID:

424944

PubChem CID:

135124519

Reduced:

SN4O5C33H40 (1)

Stoich.:

AB4C5D33E40 (1)

Weight, g/mol:

502.1904

ΔHf, kcal/mol:

-126.94

Dipole, Da:

9.66

IP(EA), eV:

 -9.14(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(C=C3)C)CN4C[C@H](OC5=CC=CC=C5S4(=O)=O)CC)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations