Geometry & MOs

Info

ID:	162419
PubChem CID:	57394610
Reduced:	NaO3N5C10H10 (1)
Stoich.:	AB3C5D10E10 (1)
Weight, g/mol:	319.097521
ΔH_f, kcal/mol:	-50.36
Dipole, Da:	6.05
IP(EA), eV:	-7.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-amino-3-(4-chloro-3-phenylmethoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CN1C2=NC=NC(=C2N(C(=O)C1=O)[O-])NCC=C.[Na+]

DOS

IR

Vibrations