Geometry & MOs

Info

ID:	445543
PubChem CID:	135267839
Reduced:	BrO3N4F5H20C23 (1)
Stoich.:	AB3C4D5E20F23 (1)
Weight, g/mol:	586.149776
ΔH_f, kcal/mol:	-289.32
Dipole, Da:	5.39
IP(EA), eV:	-8.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imino-4-[4-(3-methylsulfonylphenyl)-2-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]anilino]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=NN(C(=C1)C2=C(C=C(C=C2)Br)N/C(=C\N)/C3=CC=C(C=C3)OC(F)(F)F)C)(F)F

DOS

IR

Vibrations