Geometry & MOs

Info

ID:	165114
PubChem CID:	74501991
Reduced:	N4O4C24H37 (1)
Stoich.:	A4B4C24D37 (1)
Weight, g/mol:	460.016084
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	6.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752761
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+](C)C4CCOC4

DOS

IR

Vibrations