Geometry & MOs

Info

ID:	398
PubChem CID:	2709
Reduced:	Cl2N2O8C15H16 (1)
Stoich.:	A2B2C8D15E16 (1)
Weight, g/mol:	422.028371
ΔH_f, kcal/mol:	-267.87
Dipole, Da:	10.71
IP(EA), eV:	-10.42(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]

DOS

IR

Vibrations