Geometry & MOs

Info

ID:	233245
PubChem CID:	89449490
Reduced:	Cl2N2S2F3O3H17C21 (1)
Stoich.:	A2B2C2D3E3F17G21 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-232.91
Dipole, Da:	2.72
IP(EA), eV:	-9.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[1,2-b]pyridazin-3-yl]formamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NSC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NC4CS(=O)(=O)C4

DOS

IR

Vibrations