Geometry & MOs

Info

ID:	303692
PubChem CID:	124490058
Reduced:	NSO8C17H25 (1)
Stoich.:	ABC8D17E25 (1)
Weight, g/mol:	481.1849
ΔH_f, kcal/mol:	-333.54
Dipole, Da:	4.37
IP(EA), eV:	-8.75(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,5R)-3-(4-methylbenzoyl)oxy-5-(5-methyl-2,4-dioxo-1,3,5-triazinan-1-yl)oxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](N1C(=O)C)[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)SC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations