Geometry & MOs

Info

ID:

65405

PubChem CID:

29214865

Reduced:

OSF3N9C21H26 (1)

Stoich.:

ABC3D9E21F26 (1)

Weight, g/mol:

459.196506

ΔHf, kcal/mol:

-67.75

Dipole, Da:

5.77

IP(EA), eV:

 -9.34(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations