Geometry & MOs

Info

ID:	21890
PubChem CID:	593072
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	2.42
IP(EA), eV:	-9.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(N-hydroxy-C-methylcarbonimidoyl)thiophen-2-yl]hexanoic acid

Drug info:

PubChemData

Smile

CC(=NO)C1=CC=C(S1)CCCCCC(=O)O

DOS

IR

Vibrations