Geometry & MOs

Info

ID:

315269

PubChem CID:

126625354

Reduced:

N4O8C55H56 (1)

Stoich.:

A4B8C55D56 (1)

Weight, g/mol:

979.452014

ΔHf, kcal/mol:

-196.67

Dipole, Da:

9.2

IP(EA), eV:

 -8.79(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-benzylpiperidin-4-yl)methyl 2-[3-[[4-[6-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzoyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]phenyl]methoxy]phenyl]-2-phenylacetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)COC3=CC=CC(=C3)C(C4=CC=CC=C4)C(=O)OCC5CCN(CC5)CC6=CC=CC=C6)CNC[C@@H](C7=C8C=CC(=O)NC8=C(C=C7)O)O

DOS

IR

Vibrations