Geometry & MOs

Info

ID:	368673
PubChem CID:	127329746
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	325.120861
ΔH_f, kcal/mol:	-52.58
Dipole, Da:	2.79
IP(EA), eV:	-9.25(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)NCC2CCC3=CC=CC=C23

DOS

IR

Vibrations