Geometry & MOs

Info

ID:	54442
PubChem CID:	17388684
Reduced:	ClNNaO4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	384.048894
ΔH_f, kcal/mol:	-233.7
Dipole, Da:	6.85
IP(EA), eV:	-9.21(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-(4-chlorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C)OC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)[O-].[Na+]

DOS

IR

Vibrations