Geometry & MOs

Info

ID:	147792
PubChem CID:	53787450
Reduced:	NO2F6H15C20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	192.027003
ΔH_f, kcal/mol:	-354.38
Dipole, Da:	2.08
IP(EA), eV:	-10.01(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-2,3,4-trihydroxy-4-[(2R)-3-oxooxiran-2-yl]butanoic acid

Drug info:

PubChemData

Smile

C1CN([C@@H](CC1=O)C2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations