Geometry & MOs

Info

ID:	228463
PubChem CID:	87564614
Reduced:	SO2F3N3H16C21 (1)
Stoich.:	AB2C3D3E16F21 (1)
Weight, g/mol:	478.068194
ΔH_f, kcal/mol:	-140.84
Dipole, Da:	6.14
IP(EA), eV:	-8.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1C2=CC=CC3=C2C=CN=C3)C4=CC(=C(C(=C4F)F)SC)F)C

DOS

IR

Vibrations