Geometry & MOs

Info

ID:

161812

PubChem CID:

57392748

Reduced:

N2O11C44H52 (1)

Stoich.:

A2B11C44D52 (1)

Weight, g/mol:

464.129611

ΔHf, kcal/mol:

-379.48

Dipole, Da:

6.3

IP(EA), eV:

 -8.96(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)NCC5=CC=CC=C5)/C

DOS

IR

Vibrations