Geometry & MOs

Info

ID:	182199
PubChem CID:	76857308
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	-52.38
Dipole, Da:	4.25
IP(EA), eV:	-8.64(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CCCC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations