Geometry & MOs

Info

ID:	302867
PubChem CID:	124397811
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	331.087829
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	4.24
IP(EA), eV:	-9.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(CCC[C@@H]2CN)C=C1

DOS

IR

Vibrations