Geometry & MOs

Info

ID:	86793
PubChem CID:	49889346
Reduced:	FINS2O6H19C25 (1)
Stoich.:	ABCD2E6F19G25 (1)
Weight, g/mol:	510.037182
ΔH_f, kcal/mol:	-182.83
Dipole, Da:	7.31
IP(EA), eV:	-8.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations