Geometry & MOs

Info

ID:	327475
PubChem CID:	126690045
Reduced:	FO2S2N6C26H29 (1)
Stoich.:	AB2C2D6E26F29 (1)
Weight, g/mol:	396.148078
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	5.87
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[(5-cyano-1,3-thiazol-2-yl)-methylamino]-2-ethylimidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]formamide

Drug info:

PubChemData

Smile

CN(C1=C(N=C2N1N=C(C=C2)C3CCN(CC3)SC)CCC(=O)OC)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations