Geometry & MOs

Info

ID:	54589
PubChem CID:	17388947
Reduced:	ClNO2C24H40 (1)
Stoich.:	ABC2D24E40 (1)
Weight, g/mol:	335.985058
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	38.66
IP(EA), eV:	-5.61(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]furan-2-sulfonate

Drug info:

PubChemData

Smile

COC(=O)CCCCCCCCCC[N+]1(CCCCC1)CC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations