Geometry & MOs

Info

ID:	361324
PubChem CID:	127302519
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	356.151826
ΔH_f, kcal/mol:	14.51
Dipole, Da:	5.66
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=CC(=CC=C3)OCC4=CSC=N4)O

DOS

IR

Vibrations