Geometry & MOs

Info

ID:	54447
PubChem CID:	17388690
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	366.08278
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	2.04
IP(EA), eV:	-8.59(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-hydroxy-3-(3-nitrophenyl)-2-[(2-phenylacetyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C(=O)O)NC(=O)CC2=CC=C(C=C2)N/C=C\3/C=CC=CC3=O)O

DOS

IR

Vibrations