Geometry & MOs

Info

ID:	73468
PubChem CID:	48417801
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-96.21
Dipole, Da:	4.82
IP(EA), eV:	-8.61(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)CC2=C(NC3=CC=CC=C32)C

DOS

IR

Vibrations