Geometry & MOs

Info

ID:	359348
PubChem CID:	127298397
Reduced:	O2S2N5C16H25 (1)
Stoich.:	A2B2C5D16E25 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-39.32
Dipole, Da:	2.5
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CSC3=NN=CS3

DOS

IR

Vibrations