Geometry & MOs

Info

ID:	444352
PubChem CID:	135262180
Reduced:	SF2O3N8C25H26 (1)
Stoich.:	AB2C3D8E25F26 (1)
Weight, g/mol:	316.107259
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	5.08
IP(EA), eV:	-9.06(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1CCCNC(=O)C2=C(C=CN=C2)NC3=NC(=NN4C3=CC=C4)C5=NC(=CC=C5)C(F)F

DOS

IR

Vibrations