Geometry & MOs

Info

ID:	349106
PubChem CID:	127274832
Reduced:	O2F3N4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	367.167811
ΔH_f, kcal/mol:	-139.56
Dipole, Da:	4.19
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3(CC3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations