Geometry & MOs

Info

ID:	34067
PubChem CID:	7889684
Reduced:	BrNF3O3H11C16 (1)
Stoich.:	ABC3D3E11F16 (1)
Weight, g/mol:	389.06266
ΔH_f, kcal/mol:	-211.29
Dipole, Da:	4.26
IP(EA), eV:	-9.38(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations