Geometry & MOs

Info

ID:	166702
PubChem CID:	74723351
Reduced:	N4O6C27H29 (1)
Stoich.:	A4B6C27D29 (1)
Weight, g/mol:	469.052804
ΔH_f, kcal/mol:	-140.92
Dipole, Da:	8.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767914
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[[4-[2-(4-methylanilino)-2-oxoethoxy]carbonylphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OC)[O-])C

DOS

IR

Vibrations