Geometry & MOs

Info

ID:	78788
PubChem CID:	49731942
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-120.59
Dipole, Da:	3.35
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)N1CCC(CC1)OC2=NC3=C(S2)C=CC(=C3)OC

DOS

IR

Vibrations