Geometry & MOs

Info

ID:	36718
PubChem CID:	8011781
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	404.101706
ΔH_f, kcal/mol:	-153.94
Dipole, Da:	3.4
IP(EA), eV:	-8.27(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-phenylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations