Geometry & MOs

Info

ID:	444344
PubChem CID:	135262122
Reduced:	ClNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	538.191086
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	4.26
IP(EA), eV:	-9.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-4-[[2-(5-fluoro-6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C#CCOC1=CC=CC2=C1OC(=CC2=O)CN.Cl

DOS

IR

Vibrations