Geometry & MOs

Info

ID:	61815
PubChem CID:	26713326
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	396.133006
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	7.95
IP(EA), eV:	-8.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2,4-dimethylphenyl)sulfanylethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations