Geometry & MOs

Info

ID:	343654
PubChem CID:	127266830
Reduced:	SN3O4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	338.141262
ΔH_f, kcal/mol:	-115.75
Dipole, Da:	7.55
IP(EA), eV:	-8.96(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)S(=O)(=O)NCC2=C(C=C(C=C2)O)O

DOS

IR

Vibrations