Geometry & MOs

Info

ID:	426116
PubChem CID:	135140404
Reduced:	SN2H44C64 (1)
Stoich.:	AB2C44D64 (1)
Weight, g/mol:	626.239185
ΔH_f, kcal/mol:	255.91
Dipole, Da:	1.49
IP(EA), eV:	-8.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-bis(9,9-dimethylacridin-10-yl)thioxanthen-9-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6(C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C6=CC=C1)C1=CC=CC=C1S5)C1=C(C=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations