Geometry & MOs

Info

ID:	159754
PubChem CID:	57288713
Reduced:	N2O5C16H16 (1)
Stoich.:	A2B5C16D16 (1)
Weight, g/mol:	439.095328
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	2.98
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC[N+](=O)[O-])OC2=CC=C(C=C2)CC[N+](=O)[O-]

DOS

IR

Vibrations