Geometry & MOs

Info

ID:

320383

PubChem CID:

126660095

Reduced:

SO2N4H8C10 (1)

Stoich.:

AB2C4D8E10 (1)

Weight, g/mol:

439.34503

ΔHf, kcal/mol:

74.05

Dipole, Da:

4.11

IP(EA), eV:

-9.64(-2.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R,2'R,3R,3aS,6S,7'S,7aR,10'R,11'S)-3,4,6,10',14'-pentamethylspiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,15'-pentacyclo[12.3.1.01,13.02,11.05,10]octadec-5-ene]-7'-ol

Drug info:

PubChemData

Smile

C1=CC(=O)C(=O)C=C1/C=C(\C#N)/C(=S)NNN

DOS

IR

Vibrations