Geometry & MOs

Info

ID:

320381

PubChem CID:

126660090

Reduced:

SO3N5C26H41 (1)

Stoich.:

AB3C5D26E41 (1)

Weight, g/mol:

539.397459

ΔHf, kcal/mol:

6.79

Dipole, Da:

5.85

IP(EA), eV:

 -8.03(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2R,3R,3aS,6S,7aR,11'R,12'R,15'S)-4-[2-(2-methoxyethoxy)ethyl]-3,6,7',12'-tetramethylspiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,6'-hexacyclo[9.8.0.01,3.03,9.07,9.012,17]nonadec-17-ene]-15'-ol

Drug info:

PubChemData

Smile

CCO/N=C/C1CC=C(C(C1)C)OCCCCCCN2CCCN(S2=O)C3=CC(=NC4=C(C3)C4)N

DOS

IR

Vibrations