Geometry & MOs

Info

ID:	244066
PubChem CID:	99309592
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	477.219846
ΔH_f, kcal/mol:	-36.26
Dipole, Da:	4.55
IP(EA), eV:	-8.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1,3-benzothiazol-2-yl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=C(S1)C(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations