Geometry & MOs

Info

ID:

425080

PubChem CID:

135125100

Reduced:

FNO5C32H32 (1)

Stoich.:

ABC5D32E32 (1)

Weight, g/mol:

527.230788

ΔHf, kcal/mol:

-144.67

Dipole, Da:

4.47

IP(EA), eV:

 -8.98(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S)-3-[4-[[(1R)-5-methoxy-4-[6-[(3R)-oxolan-3-yl]oxypyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoate

Drug info:

PubChemData

Smile

CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4C)OCC5(COC5)C

DOS

IR

Vibrations