Geometry & MOs

Info

ID:	155360
PubChem CID:	56352957
Reduced:	ClSO3N5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	483.182588
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	4.73
IP(EA), eV:	-9.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridin-9-yl]-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCC(CC3)N4C=NC=N4

DOS

IR

Vibrations