Geometry & MOs

Info

ID:	214035
PubChem CID:	81065880
Reduced:	NO3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-188.9
Dipole, Da:	2.32
IP(EA), eV:	-9.87(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-phenylsulfanylpropanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NCC(CC)CC(=O)O

DOS

IR

Vibrations