Geometry & MOs

Info

ID:	364876
PubChem CID:	127316348
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	395.17012
ΔH_f, kcal/mol:	-38.53
Dipole, Da:	6.01
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)NC(=O)C4CC4C

DOS

IR

Vibrations