Geometry & MOs

Info

ID:

376877

PubChem CID:

134222907

Reduced:

F2O3N8C24H28 (1)

Stoich.:

A2B3C8D24E28 (1)

Weight, g/mol:

597.249981

ΔHf, kcal/mol:

-122.72

Dipole, Da:

9.19

IP(EA), eV:

 -9.08(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[(2-methyl-6-propan-2-yl-4H-chromen-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCC(C1F)NC(C2CC(CN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N)F)O

DOS

IR

Vibrations