Geometry & MOs

Info

ID:	87578
PubChem CID:	49895601
Reduced:	SN2O4H24C27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	392.155849
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	3.56
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4C)/SC2=O

DOS

IR

Vibrations