Geometry & MOs

Info

ID:

315261

PubChem CID:

126625296

Reduced:

N2O3C31H36 (1)

Stoich.:

A2B3C31D36 (1)

Weight, g/mol:

891.420714

ΔHf, kcal/mol:

-47.57

Dipole, Da:

2.38

IP(EA), eV:

 -8.82(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-benzylpiperidin-4-yl)methyl 2-[3-[2-[[(3S)-1-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzoyl]pyrrolidin-3-yl]amino]-2-oxoethoxy]phenyl]-2-phenylacetate

Drug info:

PubChemData

Smile

C1CN(CCC1COC(=O)C(C2=CC=CC=C2)C3=CC(=CC=C3)OCC4CNC4)CC5=CC=CC=C5

DOS

IR

Vibrations