Geometry & MOs

Info

ID:	61813
PubChem CID:	26713315
Reduced:	OBr2N2S2H14C17 (1)
Stoich.:	AB2C2D2E14F17 (1)
Weight, g/mol:	481.203528
ΔH_f, kcal/mol:	40.42
Dipole, Da:	4.35
IP(EA), eV:	-9.27(-1.17)
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-butoxy-3-methoxyphenyl)methylideneamino]oxyethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(S4)Br)Br

DOS

IR

Vibrations