Geometry & MOs

Info

ID:	171194
PubChem CID:	75342982
Reduced:	SN2O3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	490.119858
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	11.25
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methylphenoxy)ethyl]-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCN2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)C)C)C)SC2=O

DOS

IR

Vibrations