Geometry & MOs

Info

ID:

143768

PubChem CID:

53257942

Reduced:

ON6C23H25 (2)

Stoich.:

AB6C23D25 (2)

Weight, g/mol:

487.165582

ΔHf, kcal/mol:

93.96

Dipole, Da:

7.77

IP(EA), eV:

 -8.5(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluoro-3-phenylpyrazol-1-yl)-N-[(2R)-4-(methoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC8=NC=CC=N8)NC9=NC=CC=N9

DOS

IR

Vibrations