Geometry & MOs

Info

ID:	444431
PubChem CID:	135262386
Reduced:	FSO4N8H19C20 (1)
Stoich.:	ABC4D8E19F20 (1)
Weight, g/mol:	510.210342
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	2.92
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-pyrrolidin-1-ylpropyl)-4-[[2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C2=NN3C=C(C=C3C(=N2)NC4=C(C=NC=C4)F)NC(=O)CNS(=O)(=O)C

DOS

IR

Vibrations