Geometry & MOs

Info

ID:	16149
PubChem CID:	460245
Reduced:	ClFN2O5C11H16 (1)
Stoich.:	ABC2D5E11F16 (1)
Weight, g/mol:	310.073177
ΔH_f, kcal/mol:	-288.15
Dipole, Da:	3.44
IP(EA), eV:	-10.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-5-chloro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F)OC)Cl

DOS

IR

Vibrations