Geometry & MOs

Info

ID:

415877

PubChem CID:

135088879

Reduced:

N2O3C23H34 (1)

Stoich.:

A2B3C23D34 (1)

Weight, g/mol:

375.172896

ΔHf, kcal/mol:

-150.57

Dipole, Da:

3.13

IP(EA), eV:

 -8.6(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OC(C)(C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations