Geometry & MOs

Info

ID:	127171
PubChem CID:	50993372
Reduced:	FNO8C20H20 (1)
Stoich.:	ABC8D20E20 (1)
Weight, g/mol:	373.108086
ΔH_f, kcal/mol:	-350.84
Dipole, Da:	9.01
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(3-benzyl-4-chloroindol-1-yl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2C=C(C3=C2C=CC(=C3)F)C=O

DOS

IR

Vibrations