Geometry & MOs

Info

ID:	194930
PubChem CID:	78610170
Reduced:	SF3N3O4H16C17 (1)
Stoich.:	AB3C3D4E16F17 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-261.05
Dipole, Da:	3.44
IP(EA), eV:	-9.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanoyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(C1C#N)SCC(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations