Geometry & MOs

Info

ID:	444336
PubChem CID:	135262105
Reduced:	SN2O5C14H16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	419.170588
ΔH_f, kcal/mol:	-156.12
Dipole, Da:	4.93
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(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

C1=CC2=C(C=C1C(=O)NCCCS(=O)O)C(=O)C=C(O2)CN

DOS

IR

Vibrations