Geometry & MOs

Info

ID:	155401
PubChem CID:	56354978
Reduced:	ClSO2N3C23H28 (1)
Stoich.:	ABC2D3E23F28 (1)
Weight, g/mol:	434.177647
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	2.74
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]phenyl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)CCN2CCC(CC2)C(=O)N)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations