Geometry & MOs

Info

ID:	345279
PubChem CID:	127269437
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	385.178376
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	3.64
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3(CCCC3)C#N

DOS

IR

Vibrations