Geometry & MOs

Info

ID:	444429
PubChem CID:	135262373
Reduced:	SO3N5H15C18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	409.166251
ΔH_f, kcal/mol:	26.97
Dipole, Da:	5.91
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(3-fluoropyridin-4-yl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=N1)C2=NN3C=CC=C3C(=N2)OC4=CC=CC=C4

DOS

IR

Vibrations