Geometry & MOs

Info

ID:

416342

PubChem CID:

135089355

Reduced:

SO6N7C37H49 (1)

Stoich.:

AB6C7D37E49 (1)

Weight, g/mol:

344.209993

ΔHf, kcal/mol:

-191.68

Dipole, Da:

8.3

IP(EA), eV:

 -8.68(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-butoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)CC2=COC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4)C)CCSC)C(C)C

DOS

IR

Vibrations