Geometry & MOs

Info

ID:	218653
PubChem CID:	85089759
Reduced:	NSiF3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	489.98092
ΔH_f, kcal/mol:	-133.53
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.310053
Charge, e:	0

Chem-info

IUPAC name:

5-(acridin-9-ylmethylidene)-3-[(4-bromophenyl)methyl]-4-sulfanylidene-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

C[N+]1(CC2=CC=CC=C2C1C3=CC=C(C=C3)C(F)(F)F)C[Si](C)(C)C

DOS

IR

Vibrations