Geometry & MOs

Info

ID:	312880
PubChem CID:	126609413
Reduced:	N2S2O7H16C21 (1)
Stoich.:	A2B2C7D16E21 (1)
Weight, g/mol:	347.082744
ΔH_f, kcal/mol:	-196.99
Dipole, Da:	5.87
IP(EA), eV:	-9.08(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5Z)-5-[(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=S)N(C(=O)S3)CCC(=O)NC4=CC(=C(C=C4)O)C(=O)O

DOS

IR

Vibrations