Geometry & MOs

Info

ID:	213135
PubChem CID:	81062985
Reduced:	SN2O5C11H20 (1)
Stoich.:	AB2C5D11E20 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-234.16
Dipole, Da:	6.0
IP(EA), eV:	-9.77(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2-phenylmethoxyacetyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CCCN1S(=O)(=O)C

DOS

IR

Vibrations