Geometry & MOs

Info

ID:	299883
PubChem CID:	117829282
Reduced:	O2N3C15H16 (2)
Stoich.:	A2B3C15D16 (2)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	4.52
IP(EA), eV:	-8.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R)-1-[[5-(3-methoxy-4-piperazin-1-ylphenyl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2=NN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=CC=C5)OCCN6CCCC6

DOS

IR

Vibrations