Geometry & MOs

Info

ID:	87509
PubChem CID:	49895120
Reduced:	BrNSO4H20C29 (1)
Stoich.:	ABCD4E20F29 (1)
Weight, g/mol:	463.125358
ΔH_f, kcal/mol:	-55.31
Dipole, Da:	4.52
IP(EA), eV:	-9.33(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CC5=CC=CC=C54)Br)/SC2=O

DOS

IR

Vibrations