Geometry & MOs

Info

ID:

19

PubChem CID:

1959

Reduced:

N3O6C29H37 (1)

Stoich.:

A3B6C29D37 (1)

Weight, g/mol:

523.268236

ΔHf, kcal/mol:

-225.64

Dipole, Da:

4.42

IP(EA), eV:

 -8.42(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(methylamino)-2-[[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

CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

DOS

IR

Vibrations