Geometry & MOs

Info

ID:	25580
PubChem CID:	626838
Reduced:	ON3H17C21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	582.075797
ΔH_f, kcal/mol:	75.13
Dipole, Da:	7.26
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[3-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]propyl]-2-phenylthiochromen-4-imine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C(=O)N=C(N2C3=CC=CC=C3)N)C4=CC=CC=C4

DOS

IR

Vibrations