Geometry & MOs

Info

ID:	73521
PubChem CID:	48418038
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	419.177982
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	3.96
IP(EA), eV:	-8.43(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-yl)-N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations