Geometry & MOs

Info

ID:	444333
PubChem CID:	135262100
Reduced:	ClSO2N7H14C17 (1)
Stoich.:	ABC2D7E14F17 (1)
Weight, g/mol:	419.170588
ΔH_f, kcal/mol:	60.91
Dipole, Da:	6.28
IP(EA), eV:	-9.11(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2,3-dihydroxypropyl]-4-[[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=N1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)Cl

DOS

IR

Vibrations