Geometry & MOs

Info

ID:	172046
PubChem CID:	75458865
Reduced:	SF2N2O5H14C19 (1)
Stoich.:	AB2C2D5E14F19 (1)
Weight, g/mol:	329.141579
ΔH_f, kcal/mol:	-200.47
Dipole, Da:	8.65
IP(EA), eV:	-9.06(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid

Drug info:

PubChemData

Smile

C1COC(=O)C1SC2=N/C(=C\C3=CC=CO3)/C(=O)N2C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations