Geometry & MOs

Info

ID:

316166

PubChem CID:

126630255

Reduced:

FO2N3C26H28 (1)

Stoich.:

AB2C3D26E28 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-86.06

Dipole, Da:

4.63

IP(EA), eV:

 -9.36(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-(7-ethenylquinolin-2-yl)ethyl] (3S)-1-[(2S)-2-[[(2S)-3-methyl-2-[(1-methylcyclopentanecarbonyl)amino]butanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)C(CC4=CC=CC=C4)F

DOS

IR

Vibrations