Geometry & MOs

Info

ID:	8092
PubChem CID:	74941
Reduced:	ClNSF3C19H19 (1)
Stoich.:	ABCD3E19F19 (1)
Weight, g/mol:	385.087883
ΔH_f, kcal/mol:	-142.85
Dipole, Da:	1.74
IP(EA), eV:	-8.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[1-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=CC=CC=C2SC3=CC=CC(=C31)C(F)(F)F.Cl

DOS

IR

Vibrations