Geometry & MOs

Info

ID:	271314
PubChem CID:	103654589
Reduced:	SO4N5C10H13 (1)
Stoich.:	AB4C5D10E13 (1)
Weight, g/mol:	284.105545
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	8.51
IP(EA), eV:	-9.97(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanesulfonamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)CCNC1=C(C=C(C=N1)[N+](=O)[O-])C#N

DOS

IR

Vibrations