Geometry & MOs

Info

ID:

438386

PubChem CID:

135228122

Reduced:

SN2F3O4C20H23 (1)

Stoich.:

AB2C3D4E20F23 (1)

Weight, g/mol:

527.310769

ΔHf, kcal/mol:

-252.39

Dipole, Da:

5.52

IP(EA), eV:

 -8.46(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C(C(=CC(=C2F)F)OC)NS(=O)(=O)C3(CC3)CC(C)O)F

DOS

IR

Vibrations