Geometry & MOs

Info

ID:	73478
PubChem CID:	48417853
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	404.167083
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	5.53
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-indol-1-ylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CCC(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations