Geometry & MOs

Info

ID:

432585

PubChem CID:

135172719

Reduced:

FO2N4C26H29 (1)

Stoich.:

AB2C4D26E29 (1)

Weight, g/mol:

516.319937

ΔHf, kcal/mol:

-52.61

Dipole, Da:

4.64

IP(EA), eV:

 -8.65(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1S,3S,5R,6S)-3-[(1R,2R)-1-methoxy-2-methyl-3-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-6-methyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O)C5=CC=C(C=C5)F

DOS

IR

Vibrations