Geometry & MOs

Info

ID:	327477
PubChem CID:	126690053
Reduced:	IN2C6H9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	536.146445
ΔH_f, kcal/mol:	62.79
Dipole, Da:	2.92
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-b]pyridazin-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C/C(=C/N=C)/C=C(\N)/I

DOS

IR

Vibrations