Geometry & MOs

Info

ID:

335411

PubChem CID:

127254273

Reduced:

NO5C29H33 (1)

Stoich.:

AB5C29D33 (1)

Weight, g/mol:

768.287232

ΔHf, kcal/mol:

-178.06

Dipole, Da:

9.97

IP(EA), eV:

 -9.11(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3R,4S,5R,6S,8R,13S,16S,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-(2,5-dioxopyrrolidin-1-yl)benzoate;perchloric acid

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC4(CCCCC4[C@@H]3C5=CC=CC=C5)O

DOS

IR

Vibrations