Geometry & MOs

Info

ID:

1144

PubChem CID:

3850

Reduced:

NO13C43H69 (1)

Stoich.:

AB13C43D69 (1)

Weight, g/mol:

807.476891

ΔHf, kcal/mol:

-612.14

Dipole, Da:

6.85

IP(EA), eV:

 -9.7(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C=C(C(C(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)O)C

DOS

IR

Vibrations