Geometry & MOs

Info

ID:	87474
PubChem CID:	49894851
Reduced:	NSO5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	399.114044
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	5.56
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(C(=C(C=C3)OC)OC)OC)/SC2=O

DOS

IR

Vibrations