Geometry & MOs

Info

ID:	363646
PubChem CID:	127311747
Reduced:	SN3O3C13H25 (1)
Stoich.:	AB3C3D13E25 (1)
Weight, g/mol:	342.208947
ΔH_f, kcal/mol:	-153.07
Dipole, Da:	3.98
IP(EA), eV:	-8.43(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropanoyl)-N-(2-thiomorpholin-4-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)NCCN2CCSCC2)O

DOS

IR

Vibrations