Geometry & MOs

Info

ID:	150763
PubChem CID:	53790459
Reduced:	NCl2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	414.9831
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	6.77
IP(EA), eV:	-9.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-5-fluoro-4-methoxyphenyl)-4-phenyl-2-(trifluoromethyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CN(C(=O)C=CC1=CC=CC=C1Cl)C(=O)Cl

DOS

IR

Vibrations