Geometry & MOs

Info

ID:	365719
PubChem CID:	127318444
Reduced:	SN3O4C18H31 (1)
Stoich.:	AB3C4D18E31 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-177.46
Dipole, Da:	3.88
IP(EA), eV:	-9.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperazin-1-yl)-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4CCC3O4

DOS

IR

Vibrations