Geometry & MOs

Info

ID:

376544

PubChem CID:

134222562

Reduced:

SN2H17C26 (2)

Stoich.:

AB2C17D26 (2)

Weight, g/mol:

551.14995

ΔHf, kcal/mol:

332.15

Dipole, Da:

1.64

IP(EA), eV:

 -8.49(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[hydroxy-[(6-oxo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C=C(CC#CC1C2=CC=CC=C2S)C3=CC4=C(C=C3)C5=C(N4C6=CC7=C(C=C6)C8=CC=CC=C8S7)C=CC(=C5)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations