Geometry & MOs

Info

ID:	358940
PubChem CID:	127296831
Reduced:	SO3N4C14H22 (1)
Stoich.:	AB3C4D14E22 (1)
Weight, g/mol:	397.178376
ΔH_f, kcal/mol:	-84.43
Dipole, Da:	8.76
IP(EA), eV:	-9.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CCC2=NC(=NN2)S(=O)(=O)CC(=O)N3CCC3

DOS

IR

Vibrations