Geometry & MOs

Info

ID:	128214
PubChem CID:	51035731
Reduced:	ClFN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	445.08203
ΔH_f, kcal/mol:	2.02
Dipole, Da:	1.3
IP(EA), eV:	-8.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-oxo-2-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]amino]ethyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C2=C(CCN(C2)C)C3=C1C=CC(=C3)Cl)(C4=CC=NC=C4)F

DOS

IR

Vibrations