Geometry & MOs

Info

ID:

162377

PubChem CID:

57394486

Reduced:

N2O11C40H50 (1)

Stoich.:

A2B11C40D50 (1)

Weight, g/mol:

476.165997

ΔHf, kcal/mol:

-404.03

Dipole, Da:

10.84

IP(EA), eV:

 -8.91(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4-oxo-1,5-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C/NC1=C(C2=C3C4=C1C(=O)C(=CC4=O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@](C3=O)(O2)C)OC)C)OC(=O)C)C)O)C)O)C)/C)C

DOS

IR

Vibrations