Geometry & MOs

Info

ID:	339601
PubChem CID:	127261591
Reduced:	NO4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-222.78
Dipole, Da:	4.14
IP(EA), eV:	-9.55(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(E)-2-phenylethenyl]sulfonylcarbamoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CCCCCC(=O)O

DOS

IR

Vibrations