Geometry & MOs

Info

ID:	340801
PubChem CID:	127263236
Reduced:	Na2P3N4C10H13O14 (1)
Stoich.:	A2B3C4D10E13F14 (1)
Weight, g/mol:	471.064028
ΔH_f, kcal/mol:	-890.62
Dipole, Da:	10.85
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(3,5-dichloro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O)O.[Na+].[Na+]

DOS

IR

Vibrations