Geometry & MOs

Info

ID:	391457
PubChem CID:	135005392
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	377.058549
ΔH_f, kcal/mol:	-120.64
Dipole, Da:	0.37
IP(EA), eV:	-8.86(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CC=C([C@H]1C(C)(C)OC)C2=CC=CC=C2

DOS

IR

Vibrations