Geometry & MOs

Info

ID:	166703
PubChem CID:	74723468
Reduced:	N2S2O6H17C22 (1)
Stoich.:	A2B2C6D17E22 (1)
Weight, g/mol:	388.03134
ΔH_f, kcal/mol:	-140.51
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798522
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[[5-(4-ethoxyphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)[O-]

DOS

IR

Vibrations