Geometry & MOs

Info

ID:

219550

PubChem CID:

85149171

Reduced:

O6C35H50 (1)

Stoich.:

A6B35C50 (1)

Weight, g/mol:

567.262774

ΔHf, kcal/mol:

-270.72

Dipole, Da:

4.41

IP(EA), eV:

 -9.13(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-1-(2H-tetrazol-5-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=CC(CC(=CCC2CC(CC3(O2)CCC(C(O3)C(=CC)C)C)OC(=O)C4C1(CC(=O)C(=C4)C)O)C)C

DOS

IR

Vibrations