Geometry & MOs

Info

ID:	376569
PubChem CID:	134222589
Reduced:	BrN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	563.204093
ΔH_f, kcal/mol:	-71.48
Dipole, Da:	5.04
IP(EA), eV:	-8.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1=CC=CO1)NC2=NC3=C(C4=CC=CC=C4CC3)N=C2Br

DOS

IR

Vibrations