Geometry & MOs

Info

ID:	441118
PubChem CID:	135233163
Reduced:	SN8C23H26 (1)
Stoich.:	AB8C23D26 (1)
Weight, g/mol:	406.081222
ΔH_f, kcal/mol:	152.73
Dipole, Da:	5.56
IP(EA), eV:	-8.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(1-benzothiophen-2-yl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/C1=CN(C(=N)C=C1)C(=N)SC2=CC3=CC(=CN=C3C=C2)N4CCC(C4)N

DOS

IR

Vibrations