Geometry & MOs

Info

ID:	394731
PubChem CID:	135023658
Reduced:	SN2O5H30C31 (1)
Stoich.:	AB2C5D30E31 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	3.36
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)C3=CC=CC=C3)[C@@H]4C5CSCN5[C@@H]6[C@]4(COC7=CC=CC=C67)C(=O)OC

DOS

IR

Vibrations