Geometry & MOs

Info

ID:

218939

PubChem CID:

85090207

Reduced:

OSN3H8C14 (2)

Stoich.:

ABC3D8E14 (2)

Weight, g/mol:

532.260708

ΔHf, kcal/mol:

179.62

Dipole, Da:

2.12

IP(EA), eV:

 -9.06(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC(=CC=C4)C5=NN6C(=O)C(=CC7=CC=CC=C7)SC6=N5)S2

DOS

IR

Vibrations