Geometry & MOs

Info

ID:

80434

PubChem CID:

49834441

Reduced:

N3O4C14H23 (2)

Stoich.:

A3B4C14D23 (2)

Weight, g/mol:

476.188212

ΔHf, kcal/mol:

-399.06

Dipole, Da:

10.56

IP(EA), eV:

 -9.74(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[9-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]3CCCN3

DOS

IR

Vibrations