Geometry & MOs

Info

ID:

327932

PubChem CID:

126691413

Reduced:

S2N4O8C37H46 (1)

Stoich.:

A2B4C8D37E46 (1)

Weight, g/mol:

403.146681

ΔHf, kcal/mol:

-209.01

Dipole, Da:

6.42

IP(EA), eV:

 -7.97(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4R)-2-methyloxan-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=CC=C2C3=C4C=C5CCCN(C5=CC4OC6=C3C=C7CCCN(C7=C6)CCCS(=O)(=O)O)CCCS(=O)(=O)O

DOS

IR

Vibrations