Geometry & MOs

Info

ID:	87496
PubChem CID:	49895051
Reduced:	NSO4H29C30 (1)
Stoich.:	ABC4D29E30 (1)
Weight, g/mol:	381.139865
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	5.5
IP(EA), eV:	-8.61(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4C

DOS

IR

Vibrations