Geometry & MOs

Info

ID:	86731
PubChem CID:	49888738
Reduced:	NS2O6H19C24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	379.969227
ΔH_f, kcal/mol:	-150.23
Dipole, Da:	10.94
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations