Geometry & MOs

Info

ID:	360154
PubChem CID:	127300734
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	357.172228
ΔH_f, kcal/mol:	-35.54
Dipole, Da:	10.93
IP(EA), eV:	-9.58(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

CC(C)CC1CCCN1C(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations