Geometry & MOs

Info

ID:

146967

PubChem CID:

53776827

Reduced:

NO3C12H13 (2)

Stoich.:

AB3C12D13 (2)

Weight, g/mol:

979.605233

ΔHf, kcal/mol:

-170.73

Dipole, Da:

5.81

IP(EA), eV:

 -9.15(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[tert-butyl(dimethyl)silyl]oxy-12-[1-[4-(2,3-dihydroxypropoxy)-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1-hydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-17-ene-2,3,10,16-tetrone

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=C1)C2=C(C=CC=C2OC)OC)C3=C(C=C(C=C3)C(=O)O)C(C)C

DOS

IR

Vibrations