Geometry & MOs

Info

ID:	189628
PubChem CID:	77882913
Reduced:	PN4O8C10H15 (1)
Stoich.:	AB4C8D10E15 (1)
Weight, g/mol:	238.004828
ΔH_f, kcal/mol:	-360.35
Dipole, Da:	6.21
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(furan-2-yl)-2-nitroethenyl]-3-oxido-1,3-thiazol-3-ium

Drug info:

PubChemData

Smile

C1=C2C(=NC=N1)N=CN2.C(C1C(C(C(O1)O)O)O)OP(=O)(O)O

DOS

IR

Vibrations