Geometry & MOs

Info

ID:	87594
PubChem CID:	49895671
Reduced:	SN2O5H28C29 (1)
Stoich.:	AB2C5D28E29 (1)
Weight, g/mol:	460.109293
ΔH_f, kcal/mol:	-131.63
Dipole, Da:	2.41
IP(EA), eV:	-8.65(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)OCC(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations