Geometry & MOs

Info

ID:	437588
PubChem CID:	135226635
Reduced:	OSN2H34C43 (1)
Stoich.:	ABC2D34E43 (1)
Weight, g/mol:	698.239185
ΔH_f, kcal/mol:	103.21
Dipole, Da:	2.28
IP(EA), eV:	-8.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[4-(N-phenylanilino)phenyl]thioxanthen-9-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=C(C=C4)SC6=C(C5=O)C=CC(=C6)N7C8=CC=CC=C8C(C9=CC=CC=C97)(C)C)C

DOS

IR

Vibrations