Geometry & MOs

Info

ID:

159200

PubChem CID:

57264368

Reduced:

NH17C19 (1)

Stoich.:

AB17C19 (1)

Weight, g/mol:

849.487456

ΔHf, kcal/mol:

63.08

Dipole, Da:

2.9

IP(EA), eV:

 -8.96(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-ethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-20-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=C(N=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations