Geometry & MOs

Info

ID:

49530

PubChem CID:

11533192

Reduced:

N3O4C10H17 (2)

Stoich.:

A3B4C10D17 (2)

Weight, g/mol:

486.19032

ΔHf, kcal/mol:

-390.11

Dipole, Da:

7.6

IP(EA), eV:

 -10.12(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]1CCCN1)O

DOS

IR

Vibrations