Geometry & MOs

Info

ID:	21915
PubChem CID:	593655
Reduced:	SO4N5C15H21 (1)
Stoich.:	AB4C5D15E21 (1)
Weight, g/mol:	367.131425
ΔH_f, kcal/mol:	-103.91
Dipole, Da:	9.91
IP(EA), eV:	-9.47(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=NN3C(=CC(=NC3=N2)C)C

DOS

IR

Vibrations