Geometry & MOs

Info

ID:

191715

PubChem CID:

78180318

Reduced:

N3O3H17C18 (1)

Stoich.:

A3B3C17D18 (1)

Weight, g/mol:

620.350861

ΔHf, kcal/mol:

-83.64

Dipole, Da:

3.6

IP(EA), eV:

 -9.12(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-propanoylamino]phenyl]methyl]-N-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1)C(=O)NC3=CC=CC=N3)C4=CC=CC=C4O2

DOS

IR

Vibrations