Geometry & MOs

Info

ID:	440887
PubChem CID:	135232036
Reduced:	N2F3S3O4C25H29 (1)
Stoich.:	A2B3C3D4E25F29 (1)
Weight, g/mol:	730.229014
ΔH_f, kcal/mol:	-267.01
Dipole, Da:	5.4
IP(EA), eV:	-8.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dioxo-2,6-bis[4-(N-phenylanilino)phenyl]thioxanthen-9-one

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(C)(CS(=O)(=O)C(C)(C)C#N)C1=CC2=C(C=C1)SC3=C2C=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations