Geometry & MOs

Info

ID:

12302

PubChem CID:

134368

Reduced:

NO3C14H17 (2)

Stoich.:

AB3C14D17 (2)

Weight, g/mol:

494.241687

ΔHf, kcal/mol:

-218.86

Dipole, Da:

7.34

IP(EA), eV:

 -9.54(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S,8R,9R)-3,5,9-trimethyl-2-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC2(C(CC([C@H](O2)C(C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(C=CC=C5O4)C(=O)O

DOS

IR

Vibrations