Geometry & MOs

Info

ID:

315295

PubChem CID:

126625467

Reduced:

N4O5C30H38 (1)

Stoich.:

A4B5C30D38 (1)

Weight, g/mol:

891.420714

ΔHf, kcal/mol:

-170.9

Dipole, Da:

7.09

IP(EA), eV:

 -8.71(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CCN(CC2)C(=O)C3=C(C=C(C=C3)CNC[C@@H](C4=C5C=CC(=O)NC5=C(C=C4)O)O)OC

DOS

IR

Vibrations