Geometry & MOs

Info

ID:	251365
PubChem CID:	103103447
Reduced:	SN3O4C12H21 (1)
Stoich.:	AB3C4D12E21 (1)
Weight, g/mol:	259.153206
ΔH_f, kcal/mol:	-190.74
Dipole, Da:	6.35
IP(EA), eV:	-9.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]methyl]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC1N(C(CS1)C(=O)O)C(=O)N(CC)CC(=O)N

DOS

IR

Vibrations