Geometry & MOs

Info

ID:

378380

PubChem CID:

134224459

Reduced:

O2N7C29H37 (1)

Stoich.:

A2B7C29D37 (1)

Weight, g/mol:

543.332174

ΔHf, kcal/mol:

1.61

Dipole, Da:

3.85

IP(EA), eV:

 -8.88(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[4-[(4Z)-4-[amino-(methylideneamino)methylidene]-5-methylimino-3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]-4-methyl-2-(methylamino)pentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(NC1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O)N

DOS

IR

Vibrations