Geometry & MOs

Info

ID:	341855
PubChem CID:	127264548
Reduced:	ClN2O4C17H27 (1)
Stoich.:	AB2C4D17E27 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-220.18
Dipole, Da:	2.68
IP(EA), eV:	-9.54(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;benzyl (2R,3S)-2-amino-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](CCCNC(=O)OCC1=CC=CC=C1)N.Cl

DOS

IR

Vibrations