Geometry & MOs

Info

ID:	61809
PubChem CID:	26713304
Reduced:	N2O2H22C23 (1)
Stoich.:	A2B2C22D23 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-29.72
Dipole, Da:	6.02
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C

DOS

IR

Vibrations