Geometry & MOs

Info

ID:	80717
PubChem CID:	49836345
Reduced:	F2O3N5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	355.061136
ΔH_f, kcal/mol:	15.14
Dipole, Da:	7.33
IP(EA), eV:	-9.42(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-benzoyl-4-(4-chlorophenyl)-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

C#CCN(CC1=CC=C(C=C1)[N+](=O)[O-])CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

DOS

IR

Vibrations