Geometry & MOs

Info

ID:	53261
PubChem CID:	14709910
Reduced:	NSO6C27H35 (1)
Stoich.:	ABC6D27E35 (1)
Weight, g/mol:	411.171559
ΔH_f, kcal/mol:	-234.36
Dipole, Da:	5.84
IP(EA), eV:	-9.15(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-benzyl-4-(cyclohexylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethyl] methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)O[C@H](COCC1=CC=CC=C1)[C@H]2[C@@H](N(C(=O)O2)CC3=CC=CC=C3)CC4CCCCC4

DOS

IR

Vibrations