Geometry & MOs

Info

ID:	157008
PubChem CID:	56405077
Reduced:	O2S2N3C24H33 (1)
Stoich.:	A2B2C3D24E33 (1)
Weight, g/mol:	422.154325
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	4.0
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)SCC4=CSC(=N4)C

DOS

IR

Vibrations