Geometry & MOs

Info

ID:

436789

PubChem CID:

135211514

Reduced:

ClFN4O6H24C27 (1)

Stoich.:

ABC4D6E24F27 (1)

Weight, g/mol:

580.172477

ΔHf, kcal/mol:

-198.35

Dipole, Da:

6.67

IP(EA), eV:

 -9.46(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

COCCC(C(=O)NC1=CC(=C(C=C1)C(=O)N)F)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C4=COC=N4)OC

DOS

IR

Vibrations