Geometry & MOs

Info

ID:	87647
PubChem CID:	49896258
Reduced:	SN2O5H20C25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	497.06192
ΔH_f, kcal/mol:	-42.45
Dipole, Da:	7.37
IP(EA), eV:	-9.34(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations