Geometry & MOs

Info

ID:

447468

PubChem CID:

135283098

Reduced:

ClFO4N5H23C30 (1)

Stoich.:

ABC4D5E23F30 (1)

Weight, g/mol:

500.253589

ΔHf, kcal/mol:

-43.87

Dipole, Da:

6.99

IP(EA), eV:

 -9.72(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylprop-2-enylamino)ethyl N-[[4-[[4-amino-2-(oxetan-2-yl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=C4)C#N)(C5=CC=C(C=C5)Cl)O[C@H]6CCOC6

DOS

IR

Vibrations