Geometry & MOs

Info

ID:	388949
PubChem CID:	134990723
Reduced:	Na2S2N4O7H16C17 (1)
Stoich.:	A2B2C4D7E16F17 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	60.96
IP(EA), eV:	-5.37(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-benzylphenyl)-3-[(3-ethoxy-3-oxopropyl)-methylamino]propanoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C(=O)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C.[Na+].[Na+]

DOS

IR

Vibrations