Geometry & MOs

Info

ID:	353430
PubChem CID:	127284806
Reduced:	SO2N3C15H27 (1)
Stoich.:	AB2C3D15E27 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-104.47
Dipole, Da:	1.6
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCCN(C)C2CCCC2

DOS

IR

Vibrations