Geometry & MOs

Info

ID:

378370

PubChem CID:

134224449

Reduced:

O3N8C32H38 (1)

Stoich.:

A3B8C32D38 (1)

Weight, g/mol:

529.316524

ΔHf, kcal/mol:

22.32

Dipole, Da:

3.5

IP(EA), eV:

 -8.79(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-amino-N-[4-[(4Z)-4-[amino-(methylideneamino)methylidene]-5-methylimino-3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NO1)[C@H](C(NC2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N)O)N

DOS

IR

Vibrations