Geometry & MOs

Info

ID:

398187

PubChem CID:

135032225

Reduced:

FNO3H24C30 (1)

Stoich.:

ABC3D24E30 (1)

Weight, g/mol:

481.242415

ΔHf, kcal/mol:

-75.81

Dipole, Da:

5.67

IP(EA), eV:

 -8.75(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[(2S)-1-[[(2R)-1-[(2S)-2-[(2S,6S)-3-methylidene-5-oxo-6-propan-2-yl-1,4-dioxan-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)C(C1C2=CC=CC=C2N(C3=C1C=C(C=C3)F)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations