Geometry & MOs

Info

ID:	370002
PubChem CID:	127337120
Reduced:	SO2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	4.79
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2S1)NC(=O)NCC3CN(CCN3C)C)OC

DOS

IR

Vibrations