Geometry & MOs

Info

ID:	398005
PubChem CID:	135031323
Reduced:	O15H62C77 (1)
Stoich.:	A15B62C77 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-293.47
Dipole, Da:	4.57
IP(EA), eV:	-8.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3,5-diphenyl-3H-1,2-oxazole-2-carboxylate

Drug info:

Smile

C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)C(=O)O)C3=C(C(=C(C=C3C(=O)O)OC4=C(C(=C(C=C4C(=O)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations