Geometry & MOs

Info

ID:

427409

PubChem CID:

135158512

Reduced:

FN3O5C30H34 (1)

Stoich.:

AB3C5D30E34 (1)

Weight, g/mol:

907.415628

ΔHf, kcal/mol:

-178.23

Dipole, Da:

3.11

IP(EA), eV:

 -8.55(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)NC(CC1=CN(C2=CC=CC=C21)CCCC3=CC(=NO3)C4=CC=C(C=C4)F)C(=O)OCC

DOS

IR

Vibrations