Geometry & MOs

Info

ID:

161181

PubChem CID:

57390971

Reduced:

N5O11C46H63 (1)

Stoich.:

A5B11C46D63 (1)

Weight, g/mol:

422.119047

ΔHf, kcal/mol:

-384.27

Dipole, Da:

10.76

IP(EA), eV:

 -7.95(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-aminophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C/NC1=C(C2=C3C4=C1C(=C(/C(=C/NN5CCN(CC5)C)/C4=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)O)C

DOS

IR

Vibrations