Geometry & MOs

Info

ID:

315275

PubChem CID:

126625377

Reduced:

FO2N7C23H24 (1)

Stoich.:

AB2C7D23E24 (1)

Weight, g/mol:

900.409815

ΔHf, kcal/mol:

9.74

Dipole, Da:

4.78

IP(EA), eV:

 -9.0(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NC=C2)/C=N/NC3=NC=C(C(=N3)N4CCOCC4)F

DOS

IR

Vibrations