Geometry & MOs

Info

ID:	74208
PubChem CID:	48421586
Reduced:	SN2O5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	413.224932
ΔH_f, kcal/mol:	-178.26
Dipole, Da:	3.14
IP(EA), eV:	-9.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)ethyl]-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N

DOS

IR

Vibrations