Geometry & MOs

Info

ID:	27679
PubChem CID:	823019
Reduced:	ON3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	257.045486
ΔH_f, kcal/mol:	100.97
Dipole, Da:	7.2
IP(EA), eV:	-9.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-[(2-chlorobenzoyl)amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CO[C@H]1C=CC[C@@](C1(C#N)C#N)(C#N)C2=CC=CC=C2

DOS

IR

Vibrations