Geometry & MOs

Info

ID:	213683
PubChem CID:	81064646
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	285.230394
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	5.24
IP(EA), eV:	-9.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(decanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1=CSC(=N1)C

DOS

IR

Vibrations