Geometry & MOs

Info

ID:

296844

PubChem CID:

117596258

Reduced:

ClNO12C53H62 (1)

Stoich.:

ABC12D53E62 (1)

Weight, g/mol:

1405.75806

ΔHf, kcal/mol:

-374.85

Dipole, Da:

5.86

IP(EA), eV:

 -8.8(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate;dodecyl hydrogen sulfate;2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2(C(CC3C2(O3)C4(C1C5(C=CC(=O)C(C5=C(C4=O)O)(C)C)C)C)C6=COC=C6)C.CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations