Geometry & MOs

Info

ID:	181452
PubChem CID:	76747725
Reduced:	BrF2O2N4H17C18 (1)
Stoich.:	AB2C2D4E17F18 (1)
Weight, g/mol:	427.091054
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	6.01
IP(EA), eV:	-8.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

C1C(N=C(O1)N)CCC2=CC=C(C=C2)NC(=O)C(C3=NC(=CC=C3)Br)(F)F

DOS

IR

Vibrations