Geometry & MOs

Info

ID:

219082

PubChem CID:

85090460

Reduced:

SSiN2O5C29H32 (1)

Stoich.:

ABC2D5E29F32 (1)

Weight, g/mol:

548.270879

ΔHf, kcal/mol:

-106.85

Dipole, Da:

3.12

IP(EA), eV:

 -8.75(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(C1=CC=CC=C1)C(C([N+](=O)[O-])SC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations