Geometry & MOs

Info

ID:	55342
PubChem CID:	17390907
Reduced:	ClNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	5.55
IP(EA), eV:	-9.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=O)C2=C(O1)C=CC(=C2)Cl

DOS

IR

Vibrations