Geometry & MOs

Info

ID:	320699
PubChem CID:	126662589
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	482.153638
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	3.46
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=C(C=NO1)C2=CC(=C3C(=C2)NC(=O)N3C)C(=O)OC

DOS

IR

Vibrations