Geometry & MOs

Info

ID:

296762

PubChem CID:

117591697

Reduced:

ClN3O4C28H38 (1)

Stoich.:

AB3C4D28E38 (1)

Weight, g/mol:

1339.747496

ΔHf, kcal/mol:

-152.61

Dipole, Da:

3.09

IP(EA), eV:

 -8.76(-0.61)

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-methoxy-5-[1-(4-methoxyphenyl)prop-2-enyl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N(CCCl)N=O.CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O

DOS

IR

Vibrations