Geometry & MOs

Info

ID:	364866
PubChem CID:	127316338
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	391.229348
ΔH_f, kcal/mol:	-100.42
Dipole, Da:	2.43
IP(EA), eV:	-9.15(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CNC(=O)NC3CCCCC3

DOS

IR

Vibrations