Geometry & MOs

Info

ID:	150534
PubChem CID:	53790227
Reduced:	NO4F5H20C30 (1)
Stoich.:	AB4C5D20E30 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-275.92
Dipole, Da:	4.16
IP(EA), eV:	-8.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-3-phenylmethoxybutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)N(C2=CC=CC=C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations