Geometry & MOs

Info

ID:	360155
PubChem CID:	127300735
Reduced:	SN3O4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-157.92
Dipole, Da:	5.59
IP(EA), eV:	-8.82(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2CCN(CC2)C3CS(=O)(=O)CC3O

DOS

IR

Vibrations