Geometry & MOs

Info

ID:	87692
PubChem CID:	49896545
Reduced:	ClNSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	342.103814
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	1.85
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OC(=O)C4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations