Geometry & MOs

Info

ID:	172337
PubChem CID:	75497058
Reduced:	ClS3N4O4C11H13 (1)
Stoich.:	AB3C4D4E11F13 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-84.52
Dipole, Da:	8.52
IP(EA), eV:	-9.86(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(S1)Cl)S(=O)(=O)NC2CCCN3C2=NC=N3

DOS

IR

Vibrations