Geometry & MOs

Info

ID:

376861

PubChem CID:

134222890

Reduced:

SN3O4H19C23 (1)

Stoich.:

AB3C4D19E23 (1)

Weight, g/mol:

628.255794

ΔHf, kcal/mol:

-91.76

Dipole, Da:

4.88

IP(EA), eV:

 -9.06(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[hydroxy-[[2-(2-oxooxolan-3-yl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)N2C(=O)C3=C(C2=O)C=C(C=C3)CNC(=O)C4=CC5=CC=CC=C5S4

DOS

IR

Vibrations