Geometry & MOs

Info

ID:

51623

PubChem CID:

12014324

Reduced:

SO2C22H26 (1)

Stoich.:

AB2C22D26 (1)

Weight, g/mol:

344.144616

ΔHf, kcal/mol:

-31.36

Dipole, Da:

4.08

IP(EA), eV:

 -8.64(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,4R,8S,10S,11R)-2',2',4',4'-tetramethylspiro[6-thiatetracyclo[9.2.1.02,10.04,8]tetradec-12-ene-5,3'-cyclobutane]-1',3,9-trione

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)[C@H]4CSC5([C@H]4C3=O)C6CC7CC(C6)CC5C7

DOS

IR

Vibrations