Geometry & MOs

Info

ID:

320412

PubChem CID:

126660335

Reduced:

NO5C35H57 (1)

Stoich.:

AB5C35D57 (1)

Weight, g/mol:

630.460788

ΔHf, kcal/mol:

-239.97

Dipole, Da:

5.51

IP(EA), eV:

 -8.8(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,2R,2'S,3R,3aS,6S,7aR,10'S,11'R,14'S)-3a-amino-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,6,6',11'-tetramethylspiro[5,6,7,7a-tetrahydro-3H-furo[3,2-b]pyridine-2,5'-pentacyclo[8.8.0.02,8.06,8.011,16]octadec-16-ene]-14'-ol

Drug info:

PubChemData

Smile

CCCC\1(C2CC3=C(CC4(CCC3C2CC/C1=C/C=O)C(C5C(O4)CCCN5CCOCCOCCOC)C)C)C

DOS

IR

Vibrations