Geometry & MOs

Info

ID:

431738

PubChem CID:

135171842

Reduced:

NH23C40 (1)

Stoich.:

AB23C40 (1)

Weight, g/mol:

688.08462

ΔHf, kcal/mol:

188.52

Dipole, Da:

2.4

IP(EA), eV:

 -7.98(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyl-1-[2-[(2S,4R)-2-[(6-bromopyridin-2-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indol-6-yl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=CC=CC=C6N5C7=C8C9=CC=CC=C9C1=CC=CC(=C18)C=C7

DOS

IR

Vibrations