Geometry & MOs

Info

ID:	338076
PubChem CID:	127258707
Reduced:	SN2O6C12H14 (1)
Stoich.:	AB2C6D12E14 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-191.73
Dipole, Da:	7.27
IP(EA), eV:	-9.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-phenylacetyl)amino]ethyl 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OCCN=NC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations