Geometry & MOs

Info

ID:	223428
PubChem CID:	85335030
Reduced:	FN2O8C13H17 (1)
Stoich.:	AB2C8D13E17 (1)
Weight, g/mol:	347.003448
ΔH_f, kcal/mol:	-399.16
Dipole, Da:	5.34
IP(EA), eV:	-10.39(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]sulfanylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C1OC(=O)C)N2CC(C(=O)NC2=O)F)CO

DOS

IR

Vibrations