Geometry & MOs

Info

ID:	73533
PubChem CID:	48418064
Reduced:	OS2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	9.77
Dipole, Da:	4.41
IP(EA), eV:	-8.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-[(3-methoxyphenyl)methoxy]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)C

DOS

IR

Vibrations