Geometry & MOs

Info

ID:	162655
PubChem CID:	57410963
Reduced:	NF2O7C10H17 (1)
Stoich.:	AB2C7D10E17 (1)
Weight, g/mol:	337.073986
ΔH_f, kcal/mol:	-419.29
Dipole, Da:	1.62
IP(EA), eV:	-10.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4,4-difluoro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C(C[C@H](C(=O)O)N)(F)F)O)O)O)O

DOS

IR

Vibrations