Geometry & MOs

Info

ID:	297742
PubChem CID:	117628462
Reduced:	N2F3O3C12H21 (1)
Stoich.:	A2B3C3D12E21 (1)
Weight, g/mol:	556.209045
ΔH_f, kcal/mol:	-342.94
Dipole, Da:	3.3
IP(EA), eV:	-9.99(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCC(F)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations