Geometry & MOs

Info

ID:	229897
PubChem CID:	87569462
Reduced:	ClSN3O3F6H14C22 (1)
Stoich.:	ABC3D3E6F14G22 (1)
Weight, g/mol:	210.050321
ΔH_f, kcal/mol:	-313.28
Dipole, Da:	6.07
IP(EA), eV:	-9.9(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-phenalene-1-carbothialdehyde

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(C3=CC(=C(C=C3)C4=NC(=O)ON4)Cl)OCC(F)(F)F

DOS

IR

Vibrations