Geometry & MOs

Info

ID:	355257
PubChem CID:	127288189
Reduced:	SO2N7C13H15 (1)
Stoich.:	AB2C7D13E15 (1)
Weight, g/mol:	283.07391
ΔH_f, kcal/mol:	37.8
Dipole, Da:	5.02
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ylsulfonyl)-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)N3CCCN4C3=NC=N4)C

DOS

IR

Vibrations