Geometry & MOs

Info

ID:	296780
PubChem CID:	117592406
Reduced:	SCl3N6C29H31 (1)
Stoich.:	AB3C6D29E31 (1)
Weight, g/mol:	605.119435
ΔH_f, kcal/mol:	73.72
Dipole, Da:	2.93
IP(EA), eV:	-8.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;5,7-dihydroxy-2-phenylchromen-4-one;hydrochloride

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl.Cl

DOS

IR

Vibrations