Geometry & MOs

Info

ID:	44867
PubChem CID:	10506244
Reduced:	O15C21H32 (1)
Stoich.:	A15B21C32 (1)
Weight, g/mol:	524.176979
ΔH_f, kcal/mol:	-674.0
Dipole, Da:	6.38
IP(EA), eV:	-9.87(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]2[C@@H](O1)O[C@@](O2)(C)OC[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)OC)O)O)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations