Geometry & MOs

Info

ID:	87533
PubChem CID:	49895240
Reduced:	SN2O5C31H34 (1)
Stoich.:	AB2C5D31E34 (1)
Weight, g/mol:	459.114044
ΔH_f, kcal/mol:	-174.13
Dipole, Da:	4.01
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-3-[(3-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)OCC(=O)NC45CC6CC(C4)CC(C6)C5)OC)/SC2=O

DOS

IR

Vibrations