Geometry & MOs

Info

ID:

425006

PubChem CID:

135124805

Reduced:

SO3N5C28H39 (1)

Stoich.:

AB3C5D28E39 (1)

Weight, g/mol:

579.209087

ΔHf, kcal/mol:

-73.18

Dipole, Da:

7.62

IP(EA), eV:

 -9.01(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-[[(1R)-4-[6-(1,1-dihydroxythian-4-yl)oxypyridin-3-yl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoate

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=CC(=C(S3)C)CN4CC(=O)N(CC(C4)(C)C)C)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations