Geometry & MOs

Info

ID:

65393

PubChem CID:

29214847

Reduced:

FO2N4C16H17 (1)

Stoich.:

AB2C4D16E17 (1)

Weight, g/mol:

514.168162

ΔHf, kcal/mol:

-58.43

Dipole, Da:

6.37

IP(EA), eV:

 -8.98(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

COCCN1C=NC=C1CNC(=O)C2=CC3=C(N2)C=CC(=C3)F

DOS

IR

Vibrations