Geometry & MOs

Info

ID:	73499
PubChem CID:	48417928
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	-15.53
Dipole, Da:	3.99
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations