Geometry & MOs

Info

ID:

214725

PubChem CID:

85083487

Reduced:

SN2O7H30C32 (1)

Stoich.:

AB2C7D30E32 (1)

Weight, g/mol:

586.267902

ΔHf, kcal/mol:

-137.09

Dipole, Da:

8.64

IP(EA), eV:

 -8.94(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-3-[[2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]spiro[4.4]nonane-9-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)S(=O)C1=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations