Geometry & MOs

Info

ID:

47211

PubChem CID:

10530651

Reduced:

NSiO3C34H49 (1)

Stoich.:

ABC3D34E49 (1)

Weight, g/mol:

547.160909

ΔHf, kcal/mol:

-135.94

Dipole, Da:

3.81

IP(EA), eV:

 -8.9(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,6S)-6-[[(1S,3S)-3-acetyl-3,11-dihydroxy-10-methoxy-5,12-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]azanium;chloride

Drug info:

PubChemData

Smile

CCOC(C)OC(CC(C)/C(=C/CC/C(=C/CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)/C)/C)C#N

DOS

IR

Vibrations