Geometry & MOs

Info

ID:	87646
PubChem CID:	49896246
Reduced:	NSO5H17C20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	460.109293
ΔH_f, kcal/mol:	-147.32
Dipole, Da:	4.27
IP(EA), eV:	-9.38(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)O)/SC2=O

DOS

IR

Vibrations