Geometry & MOs

Info

ID:	337559
PubChem CID:	127258182
Reduced:	NO3H7C8 (3)
Stoich.:	AB3C7D8 (3)
Weight, g/mol:	571.159079
ΔH_f, kcal/mol:	-292.16
Dipole, Da:	5.88
IP(EA), eV:	-10.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-methyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H]([C@H](O[C@H]1N2C(=O)NC(=O)C=N2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations