Geometry & MOs

Info

ID:

80342

PubChem CID:

49834091

Reduced:

SO4N8C18H35 (2)

Stoich.:

AB4C8D18E35 (2)

Weight, g/mol:

420.125612

ΔHf, kcal/mol:

-380.91

Dipole, Da:

18.76

IP(EA), eV:

 -9.11(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,4R)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations