Geometry & MOs

Info

ID:	68881
PubChem CID:	46511074
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	465.100326
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	4.13
IP(EA), eV:	-8.49(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CN2CCC3=C(C2)C=CS3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations