Geometry & MOs

Info

ID:	364851
PubChem CID:	127316292
Reduced:	SN2O2C18H26 (1)
Stoich.:	AB2C2D18E26 (1)
Weight, g/mol:	391.229348
ΔH_f, kcal/mol:	-105.21
Dipole, Da:	8.79
IP(EA), eV:	-8.38(-0.01)
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]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)NCC3CCSCC3

DOS

IR

Vibrations