Geometry & MOs

Info

ID:	231369
PubChem CID:	87573563
Reduced:	SN3H4C6O6 (1)
Stoich.:	AB3C4D6E6 (1)
Weight, g/mol:	484.173814
ΔH_f, kcal/mol:	6.22
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752902
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-[(2-chloropyridin-4-yl)carbamoyl]-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl] carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[SH2+])[N+](=O)[O-]

DOS

IR

Vibrations