Geometry & MOs

Info

ID:	402209
PubChem CID:	135054962
Reduced:	NO3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	355.158372
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	3.85
IP(EA), eV:	-8.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-4-benzyl-2-(4-fluorophenyl)-5H-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2[C@@H](O2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations