Geometry & MOs

Info

ID:

10757

PubChem CID:

107640

Reduced:

N2O10C37H50 (1)

Stoich.:

A2B10C37D50 (1)

Weight, g/mol:

682.346546

ΔHf, kcal/mol:

-413.92

Dipole, Da:

5.54

IP(EA), eV:

 -8.73(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,6S,8R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCN1CC2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C

DOS

IR

Vibrations