Geometry & MOs

Info

ID:	245224
PubChem CID:	99437946
Reduced:	O2F3N5C24H24 (1)
Stoich.:	A2B3C5D24E24 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-160.27
Dipole, Da:	1.98
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4C)C(F)(F)F

DOS

IR

Vibrations