Geometry & MOs

Info

ID:	376916
PubChem CID:	134222949
Reduced:	FSO2N7C24H24 (1)
Stoich.:	ABC2D7E24F24 (1)
Weight, g/mol:	497.218681
ΔH_f, kcal/mol:	30.8
Dipole, Da:	3.03
IP(EA), eV:	-8.98(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[hydroxy-[(2-hydroxycyclopentyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2(CC(CC2CS1)OC3CC3)C4=C(C=CC(=C4)NC(=O)C5=CN=C(C=N5)N6C=NC=N6)F

DOS

IR

Vibrations