Geometry & MOs

Info

ID:	352248
PubChem CID:	127283330
Reduced:	S2O4N5C15H21 (1)
Stoich.:	A2B4C5D15E21 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-93.05
Dipole, Da:	4.98
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

DOS

IR

Vibrations