Geometry & MOs

Info

ID:

446824

PubChem CID:

135278015

Reduced:

SN3O5C26H51 (1)

Stoich.:

AB3C5D26E51 (1)

Weight, g/mol:

746.385057

ΔHf, kcal/mol:

-297.84

Dipole, Da:

7.45

IP(EA), eV:

 -8.75(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[butanoyl(formyl)amino] 3-[2-[2-[2-[2-[3-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl-ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C(C)C)N(C)CS

DOS

IR

Vibrations