Geometry & MOs

Info

ID:

415277

PubChem CID:

135088269

Reduced:

SO6N8C37H56 (1)

Stoich.:

AB6C8D37E56 (1)

Weight, g/mol:

280.153541

ΔHf, kcal/mol:

-226.04

Dipole, Da:

7.07

IP(EA), eV:

 -8.23(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC(C)(C)CN4CCOCC4)C)C)C(C)C

DOS

IR

Vibrations