Geometry & MOs

Info

ID:

379402

PubChem CID:

134419343

Reduced:

N3O10C32H45 (1)

Stoich.:

A3B10C32D45 (1)

Weight, g/mol:

628.299596

ΔHf, kcal/mol:

-408.57

Dipole, Da:

9.55

IP(EA), eV:

 -9.52(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3S,6S,7R,8R,9S,10R,18S,19R,20E)-8-hydroxy-18-[(1R)-1-(2-hydroxyethylcarbamoyloxy)ethyl]-15-methoxy-7,19,21-trimethyl-16-oxo-2,17-dioxapentacyclo[11.8.0.01,9.03,10.04,9]henicosa-11,20-dien-6-yl] 1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1/C=C(/CC(CC(C(=O)O[C@@H]1[C@@H](C)OC(=O)NCC(=O)N)OC)/C=C\[C@@H]2[C@@H]3CO[C@H]2[C@@H]([C@@H]([C@H]3O)C)OC(=O)C4=CC=CN4)\C

DOS

IR

Vibrations