Geometry & MOs

Info

ID:

215460

PubChem CID:

85084766

Reduced:

SN5O7C38H57 (1)

Stoich.:

AB5C7D38E57 (1)

Weight, g/mol:

931.406246

ΔHf, kcal/mol:

-353.63

Dipole, Da:

2.44

IP(EA), eV:

 -9.39(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-4-acetyloxy-2-[2-(10-dodecyl-6-nitro-2,4-dioxo-1,10a-dihydropyrimido[4,5-b]quinolin-3-yl)ethoxy]-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCCCNC(=O)C12CC3CC(C1)CC(C3)C2)C(=O)NC(CS)C(=O)NC(C(C)C)C(=O)O)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations