Geometry & MOs

Info

ID:

65369

PubChem CID:

29214804

Reduced:

ClSO2N4C19H27 (1)

Stoich.:

ABC2D4E19F27 (1)

Weight, g/mol:

436.211741

ΔHf, kcal/mol:

-61.55

Dipole, Da:

5.31

IP(EA), eV:

 -9.03(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations