Geometry & MOs

Info

ID:	167095
PubChem CID:	74779405
Reduced:	N3O4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	299.05241
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811102
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-oxo-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C=C=C2C=[N+](C(=O)N(C2=O)C)C

DOS

IR

Vibrations