Geometry & MOs

Info

ID:

320389

PubChem CID:

126660145

Reduced:

SN2C23H38 (1)

Stoich.:

AB2C23D38 (1)

Weight, g/mol:

621.418195

ΔHf, kcal/mol:

-14.12

Dipole, Da:

2.27

IP(EA), eV:

-8.46(-0.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1'R,2R,3R,5R,10'S,11'R)-3,6',11'-trimethyl-5-[(2S)-2-methyl-3-[methyl-[(4-phenoxyphenyl)methyl]amino]propyl]spiro[oxolane-2,5'-pentacyclo[8.8.0.02,8.06,8.011,16]octadec-15-ene]-14'-one

Drug info:

PubChemData

Smile

CCCN=C1CCC2=C1C=CC(=C2)CCCCCCN(CCC)SCC

DOS

IR

Vibrations