Geometry & MOs

Info

ID:	407955
PubChem CID:	135080710
Reduced:	BrO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	204.087198
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	4.44
IP(EA), eV:	-9.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R,3R)-2-amino-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC(=O)[C@@H](C1=CC(=CC=C1)Br)O

DOS

IR

Vibrations