Geometry & MOs

Info

ID:

335413

PubChem CID:

127254275

Reduced:

ClNO5C31H36 (1)

Stoich.:

ABC5D31E36 (1)

Weight, g/mol:

782.302882

ΔHf, kcal/mol:

-200.45

Dipole, Da:

10.52

IP(EA), eV:

 -9.18(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3R,4S,5R,6S,8R,13S,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;perchloric acid

Drug info:

PubChemData

Smile

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N3CCC4(CCCCC4[C@@H]3C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations