Geometry & MOs

Info

ID:

427414

PubChem CID:

135158628

Reduced:

N2F3C22H33 (1)

Stoich.:

A2B3C22D33 (1)

Weight, g/mol:

951.441843

ΔHf, kcal/mol:

-180.08

Dipole, Da:

3.75

IP(EA), eV:

 -8.63(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(C=C2)CC3CCCN(C3)CCC(F)(F)F

DOS

IR

Vibrations