Geometry & MOs

Info

ID:	360793
PubChem CID:	127301438
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	-95.48
Dipole, Da:	3.67
IP(EA), eV:	-9.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations