Geometry & MOs

Info

ID:	148255
PubChem CID:	53787917
Reduced:	NSO3C5H7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-92.07
Dipole, Da:	4.24
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CO1

DOS

IR

Vibrations