Geometry & MOs

Info

ID:	347683
PubChem CID:	127272549
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	370.167477
ΔH_f, kcal/mol:	-95.48
Dipole, Da:	3.62
IP(EA), eV:	-8.85(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations