Geometry & MOs

Info

ID:	54441
PubChem CID:	17388683
Reduced:	N2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	321.07438
ΔH_f, kcal/mol:	-105.96
Dipole, Da:	8.43
IP(EA), eV:	-8.93(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-(butan-2-yloxycarbonylamino)-3-(4-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(C(=O)O)N/C=C\2/C=CC=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations