Geometry & MOs

Info

ID:	348430
PubChem CID:	127273531
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-77.34
Dipole, Da:	0.32
IP(EA), eV:	-8.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)CC2=CSC=N2)NC(=O)C3CCCC3

DOS

IR

Vibrations